(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]methanone

C17H24N6O2 — CID 129484291

IUPAC(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]methanone
SMILESCC(C)n1cc([C@]2(O)CCCN(C(=O)c3cc(C4CC4)[nH]n3)C2)nn1
InChIInChI=1S/C17H24N6O2/c1-11(2)23-9-15(20-21-23)17(25)6-3-7-22(10-17)16(24)14-8-13(18-19-14)12-4-5-12/h8-9,11-12,25H,3-7,10H2,1-2H3,(H,18,19)/t17-/m0/s1
InChIKeyKRIIMMPTRJFICH-KRWDZBQOSA-N
MW344.42 g/mol
LogP1.58
Rot. Bonds4

About (5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]methanone

(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]methanone (PubChem CID 129484291) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is (5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]methanone
PubChem CID129484291
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]methanone
SMILESCC(C)n1cc([C@]2(O)CCCN(C(=O)c3cc(C4CC4)[nH]n3)C2)nn1
InChIInChI=1S/C17H24N6O2/c1-11(2)23-9-15(20-21-23)17(25)6-3-7-22(10-17)16(24)14-8-13(18-19-14)12-4-5-12/h8-9,11-12,25H,3-7,10H2,1-2H3,(H,18,19)/t17-/m0/s1
InChIKeyKRIIMMPTRJFICH-KRWDZBQOSA-N
XLogP1.58
TPSA99.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[1-[3-(4-methylpyrazol-1-yl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71926929
{1-[(1-{[3-(trifluoromethyl)-1H-pyrazol-5-yl]carbonyl}-4-piperidinyl)methyl]-1H-1,2,3-triazol-4-yl}methanol
CID 28641930
[4-[(4-cyclopropyltriazol-1-yl)methyl]piperidin-1-yl]-[5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 28358222
[3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 46982560
[1-({1-[(1-ethyl-3-isopropyl-1H-pyrazol-5-yl)carbonyl]piperidin-4-yl}methyl)-1H-1,2,3-triazol-4-yl]methanol
CID 46987213
2-(1-{1-[(1-ethyl-3-isobutyl-1H-pyrazol-5-yl)carbonyl]piperidin-4-yl}-1H-1,2,3-triazol-4-yl)propan-2-ol
CID 46999536
1-(3-tert-butyl-1H-pyrazole-5-carbonyl)-3-[(1H-1,2,3-triazol-1-yl)methyl]pyrrolidin-3-ol
CID 137843545
1-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)carbonyl]-4-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]piperidine
CID 31075564
1-[5-[4-(4-cyclopentyltriazol-1-yl)piperidine-1-carbonyl]-1H-pyrazol-3-yl]ethanone
CID 31126016
1-[(3-cyclopropyl-1H-pyrazol-5-yl)carbonyl]-3-[(4-isobutyl-1H-1,2,3-triazol-1-yl)methyl]piperidine
CID 46998856
3-[(4-butyl-1H-1,2,3-triazol-1-yl)methyl]-1-[(3-ethyl-4-methyl-1H-pyrazol-5-yl)carbonyl]piperidine
CID 46999071
[(3S)-3-[[4-(2-methylpropyl)triazol-1-yl]methyl]piperidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 52276715

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]methanone (CID 129484291) is (5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]methanone is CC(C)n1cc([C@]2(O)CCCN(C(=O)c3cc(C4CC4)[nH]n3)C2)nn1.
What is the InChIKey of (5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]methanone?
The InChIKey is KRIIMMPTRJFICH-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-11(2)23-9-15(20-21-23)17(25)6-3-7-22(10-17)16(24)14-8-13(18-19-14)12-4-5-12/h8-9,11-12,25H,3-7,10H2,1-2H3,(H,18,19)/t17-/m0/s1.
What are the key properties of (5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]methanone?
(5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]methanone has a molecular weight of 344.42 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1H-pyrazol-3-yl)-[(3S)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 129484291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).