[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone

C19H29N5O — CID 95136458

IUPAC[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCCC[C@H]2CCn2ccnc2)n(C)n1
InChIInChI=1S/C19H29N5O/c1-15(2)12-16-13-18(22(3)21-16)19(25)24-9-5-4-6-17(24)7-10-23-11-8-20-14-23/h8,11,13-15,17H,4-7,9-10,12H2,1-3H3/t17-/m0/s1
InChIKeySGDBFDFBBWJUSA-KRWDZBQOSA-N
MW343.48 g/mol
LogP2.90
Rot. Bonds6

About [(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone

[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone (PubChem CID 95136458) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is [(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone.

Molecular Properties

Compound Name[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
PubChem CID95136458
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC Name[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCCC[C@H]2CCn2ccnc2)n(C)n1
InChIInChI=1S/C19H29N5O/c1-15(2)12-16-13-18(22(3)21-16)19(25)24-9-5-4-6-17(24)7-10-23-11-8-20-14-23/h8,11,13-15,17H,4-7,9-10,12H2,1-3H3/t17-/m0/s1
InChIKeySGDBFDFBBWJUSA-KRWDZBQOSA-N
XLogP2.90
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-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

(2-ethyl-5-methylpyrazol-3-yl)-[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
CID 95204610
[(4aS,9aS)-4a,5-dimethyl-2,3,4,6,7,8,9,9a-octahydropyrido[3,2-b]azepin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone
CID 110141051
(1-methyl-3-propylpyrazol-5-yl)-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 96579491
[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(5-methyl-1H-imidazol-2-yl)methanone
CID 99990711
[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[2-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
CID 127247275
(2,3-dimethylquinoxalin-6-yl)-[2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
CID 70714193
(4-ethoxyphenyl)-[(2R)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]methanone
CID 96573519
[2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(4H-thieno[3,2-b]pyrrol-5-yl)methanone
CID 50979410
[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-[(2S)-2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 97116000
3-[2-(2-imidazol-1-ylethyl)piperidine-1-carbonyl]benzonitrile
CID 56744202
[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-(5-methyl-1-propylpyrazol-4-yl)methanone
CID 95147297
4-[2-(2-imidazol-1-ylethyl)piperidine-1-carbonyl]-6-methyl-1H-quinolin-2-one
CID 70780587

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
The IUPAC name of [(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone (CID 95136458) is [(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone.
What is the SMILES notation for [(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
The canonical SMILES for [(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone is CC(C)Cc1cc(C(=O)N2CCCC[C@H]2CCn2ccnc2)n(C)n1.
What is the InChIKey of [(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
The InChIKey is SGDBFDFBBWJUSA-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H29N5O/c1-15(2)12-16-13-18(22(3)21-16)19(25)24-9-5-4-6-17(24)7-10-23-11-8-20-14-23/h8,11,13-15,17H,4-7,9-10,12H2,1-3H3/t17-/m0/s1.
What are the key properties of [(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone?
[(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone has a molecular weight of 343.48 g/mol, XLogP of 2.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(2-imidazol-1-ylethyl)piperidin-1-yl]-[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]methanone is sourced from PubChem (CID 95136458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).