[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)methanone

C20H32N4O2 — CID 136555336

IUPAC[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCC(C)(N3CCOCC3)CC2)nn1C(C)C1CC1
InChIInChI=1S/C20H32N4O2/c1-15-14-18(21-24(15)16(2)17-4-5-17)19(25)22-8-6-20(3,7-9-22)23-10-12-26-13-11-23/h14,16-17H,4-13H2,1-3H3
InChIKeyVNINXLAUOLDPQI-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.49
Rot. Bonds4

About [1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)methanone

[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)methanone (PubChem CID 136555336) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is [1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)methanone
PubChem CID136555336
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCC(C)(N3CCOCC3)CC2)nn1C(C)C1CC1
InChIInChI=1S/C20H32N4O2/c1-15-14-18(21-24(15)16(2)17-4-5-17)19(25)22-8-6-20(3,7-9-22)23-10-12-26-13-11-23/h14,16-17H,4-13H2,1-3H3
InChIKeyVNINXLAUOLDPQI-UHFFFAOYSA-N
XLogP2.49
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxylic acid
CID 71757852
N-(4-carbamoyloxan-4-yl)-1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxamide
CID 126802260
[1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-[(3S)-3-phenylmorpholin-4-yl]methanone
CID 129358344
[1-[(1R)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-(4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 129358698
[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 127757987
(1,5-dimethylpyrazol-3-yl)-morpholin-4-ylmethanone
CID 11344828
6-(5-methyl-1-pentan-3-ylpyrazole-3-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514673
[4-(1-aminoethyl)piperidin-1-yl]-(1,5-dimethylpyrazol-3-yl)methanone;hydrochloride
CID 119518635
(1-ethyl-2,5-dimethylpyrrol-3-yl)-[4-[(1R)-1-morpholin-4-ylethyl]piperidin-1-yl]methanone
CID 95877164
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-[1-(1,1-dioxothiolan-3-yl)-5-methylpyrazol-3-yl]methanone
CID 110390765
(1-butan-2-yl-5-methylpyrazol-3-yl)-[4-(4-hydroxyphenyl)piperidin-1-yl]methanone
CID 146131215
[1-(3,4-dimethylphenyl)-5-methylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 110373271

Frequently Asked Questions

What is the IUPAC name of [1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)methanone?
The IUPAC name of [1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)methanone (CID 136555336) is [1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)methanone.
What is the SMILES notation for [1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)methanone?
The canonical SMILES for [1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)methanone is Cc1cc(C(=O)N2CCC(C)(N3CCOCC3)CC2)nn1C(C)C1CC1.
What is the InChIKey of [1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)methanone?
The InChIKey is VNINXLAUOLDPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-15-14-18(21-24(15)16(2)17-4-5-17)19(25)22-8-6-20(3,7-9-22)23-10-12-26-13-11-23/h14,16-17H,4-13H2,1-3H3.
What are the key properties of [1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)methanone?
[1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)methanone has a molecular weight of 360.50 g/mol, XLogP of 2.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-(4-methyl-4-morpholin-4-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 136555336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).