[5-cyclopropyl-1-(3-hydroxyphenyl)-3-methylpyrazol-4-yl]-[4-[(3R)-3-methylpyrrolidin-1-yl]piperidin-1-yl]methanone

C24H32N4O2 — CID 143749380

IUPAC[5-cyclopropyl-1-(3-hydroxyphenyl)-3-methylpyrazol-4-yl]-[4-[(3R)-3-methylpyrrolidin-1-yl]piperidin-1-yl]methanone
SMILESCc1nn(-c2cccc(O)c2)c(C2CC2)c1C(=O)N1CCC(N2CC[C@@H](C)C2)CC1
InChIInChI=1S/C24H32N4O2/c1-16-8-11-27(15-16)19-9-12-26(13-10-19)24(30)22-17(2)25-28(23(22)18-6-7-18)20-4-3-5-21(29)14-20/h3-5,14,16,18-19,29H,6-13,15H2,1-2H3/t16-/m1/s1
InChIKeyYUOHEWVDMYFXKN-MRXNPFEDSA-N
MW408.55 g/mol
LogP3.71
Rot. Bonds4

About [5-cyclopropyl-1-(3-hydroxyphenyl)-3-methylpyrazol-4-yl]-[4-[(3R)-3-methylpyrrolidin-1-yl]piperidin-1-yl]methanone

[5-cyclopropyl-1-(3-hydroxyphenyl)-3-methylpyrazol-4-yl]-[4-[(3R)-3-methylpyrrolidin-1-yl]piperidin-1-yl]methanone (PubChem CID 143749380) has the molecular formula C24H32N4O2 and a molecular weight of 408.55 g/mol. Its IUPAC name is [5-cyclopropyl-1-(3-hydroxyphenyl)-3-methylpyrazol-4-yl]-[4-[(3R)-3-methylpyrrolidin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-cyclopropyl-1-(3-hydroxyphenyl)-3-methylpyrazol-4-yl]-[4-[(3R)-3-methylpyrrolidin-1-yl]piperidin-1-yl]methanone
PubChem CID143749380
Molecular FormulaC24H32N4O2
Molecular Weight408.55 g/mol
Exact Mass408.25
IUPAC Name[5-cyclopropyl-1-(3-hydroxyphenyl)-3-methylpyrazol-4-yl]-[4-[(3R)-3-methylpyrrolidin-1-yl]piperidin-1-yl]methanone
SMILESCc1nn(-c2cccc(O)c2)c(C2CC2)c1C(=O)N1CCC(N2CC[C@@H](C)C2)CC1
InChIInChI=1S/C24H32N4O2/c1-16-8-11-27(15-16)19-9-12-26(13-10-19)24(30)22-17(2)25-28(23(22)18-6-7-18)20-4-3-5-21(29)14-20/h3-5,14,16,18-19,29H,6-13,15H2,1-2H3/t16-/m1/s1
InChIKeyYUOHEWVDMYFXKN-MRXNPFEDSA-N
XLogP3.71
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.55
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-3-(3,5-dimethylpyrazol-1-yl)-1-[4-(4-hydroxybenzoyl)piperazin-1-yl]butan-1-one
CID 171359676
[5-Cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 25141100
[5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[4-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone
CID 25206260
[5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[4-[(3R)-3-hydroxypyrrolidin-1-yl]piperidin-1-yl]methanone
CID 25206262
N-[1-[1-[5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazole-4-carbonyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide
CID 25206416
N-[(3R,5S)-1-[1-[5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazole-4-carbonyl]piperidin-4-yl]-5-(hydroxymethyl)pyrrolidin-3-yl]acetamide
CID 25206579
[5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]piperidin-1-yl]methanone
CID 57554914
[3,5-Dimethyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[4-(3-methylpyrrolidin-1-yl)piperidin-1-yl]methanone
CID 57554915
[5-Cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[4-(2-methylpyrrolidin-1-yl)piperidin-1-yl]methanone
CID 57554921
[5-Cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[4-[2-(hydroxymethyl)-2-methylpyrrolidin-1-yl]piperidin-1-yl]methanone
CID 57554927
[5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[(3S,4S)-3-methyl-4-pyrrolidin-1-ylpiperidin-1-yl]methanone
CID 57554928
[5-cyclopropyl-3-methyl-1-[3-(trifluoromethoxy)phenyl]pyrazol-4-yl]-[4-[(2R,3R)-3-hydroxy-2-methylpyrrolidin-1-yl]piperidin-1-yl]methanone
CID 57554930

Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-1-(3-hydroxyphenyl)-3-methylpyrazol-4-yl]-[4-[(3R)-3-methylpyrrolidin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of [5-cyclopropyl-1-(3-hydroxyphenyl)-3-methylpyrazol-4-yl]-[4-[(3R)-3-methylpyrrolidin-1-yl]piperidin-1-yl]methanone (CID 143749380) is [5-cyclopropyl-1-(3-hydroxyphenyl)-3-methylpyrazol-4-yl]-[4-[(3R)-3-methylpyrrolidin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for [5-cyclopropyl-1-(3-hydroxyphenyl)-3-methylpyrazol-4-yl]-[4-[(3R)-3-methylpyrrolidin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for [5-cyclopropyl-1-(3-hydroxyphenyl)-3-methylpyrazol-4-yl]-[4-[(3R)-3-methylpyrrolidin-1-yl]piperidin-1-yl]methanone is Cc1nn(-c2cccc(O)c2)c(C2CC2)c1C(=O)N1CCC(N2CC[C@@H](C)C2)CC1.
What is the InChIKey of [5-cyclopropyl-1-(3-hydroxyphenyl)-3-methylpyrazol-4-yl]-[4-[(3R)-3-methylpyrrolidin-1-yl]piperidin-1-yl]methanone?
The InChIKey is YUOHEWVDMYFXKN-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H32N4O2/c1-16-8-11-27(15-16)19-9-12-26(13-10-19)24(30)22-17(2)25-28(23(22)18-6-7-18)20-4-3-5-21(29)14-20/h3-5,14,16,18-19,29H,6-13,15H2,1-2H3/t16-/m1/s1.
What are the key properties of [5-cyclopropyl-1-(3-hydroxyphenyl)-3-methylpyrazol-4-yl]-[4-[(3R)-3-methylpyrrolidin-1-yl]piperidin-1-yl]methanone?
[5-cyclopropyl-1-(3-hydroxyphenyl)-3-methylpyrazol-4-yl]-[4-[(3R)-3-methylpyrrolidin-1-yl]piperidin-1-yl]methanone has a molecular weight of 408.55 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-cyclopropyl-1-(3-hydroxyphenyl)-3-methylpyrazol-4-yl]-[4-[(3R)-3-methylpyrrolidin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 143749380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).