[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone

C20H23N5O2 — CID 96575104

IUPAC[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
SMILESCOc1ccccc1-n1cc(C(=O)N2CCC[C@@H](Cn3ccnc3)C2)cn1
InChIInChI=1S/C20H23N5O2/c1-27-19-7-3-2-6-18(19)25-14-17(11-22-25)20(26)24-9-4-5-16(13-24)12-23-10-8-21-15-23/h2-3,6-8,10-11,14-16H,4-5,9,12-13H2,1H3/t16-/m0/s1
InChIKeyBOJYIWVKSPPAOF-INIZCTEOSA-N
MW365.44 g/mol
LogP2.63
Rot. Bonds5

About [(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone

[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone (PubChem CID 96575104) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is [(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
PubChem CID96575104
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
SMILESCOc1ccccc1-n1cc(C(=O)N2CCC[C@@H](Cn3ccnc3)C2)cn1
InChIInChI=1S/C20H23N5O2/c1-27-19-7-3-2-6-18(19)25-14-17(11-22-25)20(26)24-9-4-5-16(13-24)12-23-10-8-21-15-23/h2-3,6-8,10-11,14-16H,4-5,9,12-13H2,1H3/t16-/m0/s1
InChIKeyBOJYIWVKSPPAOF-INIZCTEOSA-N
XLogP2.63
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-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

[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 97280069
[1-(2-methoxyphenyl)pyrazol-4-yl]-[(2S)-2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 97153764
[3-[(3-hydroxyphenyl)methyl]pyrrolidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 166614439
[1-(2-methoxyphenyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 131948490
[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 95885542
[3-(imidazol-1-ylmethyl)piperidin-1-yl]-[2-(2-methylphenyl)phenyl]methanone
CID 90650856
[(3R)-3-aminopiperidin-1-yl]-[1-(2-methylphenyl)pyrazol-4-yl]methanone
CID 124593909
[1-(2-methoxyphenyl)pyrazol-4-yl]-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 70786049
[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[7-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methanone
CID 92628404
[6-(azepan-1-yl)-3-pyridinyl]-[3-(imidazol-1-ylmethyl)piperidin-1-yl]methanone
CID 45228830
[1-(2-methoxyphenyl)pyrazol-4-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 97134508
[1-(2-methoxyphenyl)pyrazol-4-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 70784414

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone?
The IUPAC name of [(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone (CID 96575104) is [(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone.
What is the SMILES notation for [(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone?
The canonical SMILES for [(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone is COc1ccccc1-n1cc(C(=O)N2CCC[C@@H](Cn3ccnc3)C2)cn1.
What is the InChIKey of [(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone?
The InChIKey is BOJYIWVKSPPAOF-INIZCTEOSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-27-19-7-3-2-6-18(19)25-14-17(11-22-25)20(26)24-9-4-5-16(13-24)12-23-10-8-21-15-23/h2-3,6-8,10-11,14-16H,4-5,9,12-13H2,1H3/t16-/m0/s1.
What are the key properties of [(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone?
[(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone has a molecular weight of 365.44 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(imidazol-1-ylmethyl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 96575104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).