[5-cyclopropyl-1-(3-hydroxyphenyl)-3-methylpyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

C23H30N4O2 — CID 143749433

IUPAC[5-cyclopropyl-1-(3-hydroxyphenyl)-3-methylpyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCc1nn(-c2cccc(O)c2)c(C2CC2)c1C(=O)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C23H30N4O2/c1-16-21(23(29)26-13-9-18(10-14-26)25-11-2-3-12-25)22(17-7-8-17)27(24-16)19-5-4-6-20(28)15-19/h4-6,15,17-18,28H,2-3,7-14H2,1H3
InChIKeyDAWHGHXRDKBJEL-UHFFFAOYSA-N
MW394.52 g/mol
LogP3.46
Rot. Bonds4

About [5-cyclopropyl-1-(3-hydroxyphenyl)-3-methylpyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone

[5-cyclopropyl-1-(3-hydroxyphenyl)-3-methylpyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 143749433) has the molecular formula C23H30N4O2 and a molecular weight of 394.52 g/mol. Its IUPAC name is [5-cyclopropyl-1-(3-hydroxyphenyl)-3-methylpyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-cyclopropyl-1-(3-hydroxyphenyl)-3-methylpyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID143749433
Molecular FormulaC23H30N4O2
Molecular Weight394.52 g/mol
Exact Mass394.24
IUPAC Name[5-cyclopropyl-1-(3-hydroxyphenyl)-3-methylpyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESCc1nn(-c2cccc(O)c2)c(C2CC2)c1C(=O)N1CCC(N2CCCC2)CC1
InChIInChI=1S/C23H30N4O2/c1-16-21(23(29)26-13-9-18(10-14-26)25-11-2-3-12-25)22(17-7-8-17)27(24-16)19-5-4-6-20(28)15-19/h4-6,15,17-18,28H,2-3,7-14H2,1H3
InChIKeyDAWHGHXRDKBJEL-UHFFFAOYSA-N
XLogP3.46
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.52
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-cyclopropyl-1-(3-hydroxyphenyl)-3-methylpyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of [5-cyclopropyl-1-(3-hydroxyphenyl)-3-methylpyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 143749433) is [5-cyclopropyl-1-(3-hydroxyphenyl)-3-methylpyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [5-cyclopropyl-1-(3-hydroxyphenyl)-3-methylpyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for [5-cyclopropyl-1-(3-hydroxyphenyl)-3-methylpyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone is Cc1nn(-c2cccc(O)c2)c(C2CC2)c1C(=O)N1CCC(N2CCCC2)CC1.
What is the InChIKey of [5-cyclopropyl-1-(3-hydroxyphenyl)-3-methylpyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is DAWHGHXRDKBJEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O2/c1-16-21(23(29)26-13-9-18(10-14-26)25-11-2-3-12-25)22(17-7-8-17)27(24-16)19-5-4-6-20(28)15-19/h4-6,15,17-18,28H,2-3,7-14H2,1H3.
What are the key properties of [5-cyclopropyl-1-(3-hydroxyphenyl)-3-methylpyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone?
[5-cyclopropyl-1-(3-hydroxyphenyl)-3-methylpyrazol-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 394.52 g/mol, XLogP of 3.46, 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-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 143749433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).