[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone

C20H23N5O — CID 71847443

IUPAC[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
SMILESCn1ccnc1CC1CCCN(C(=O)c2ccccc2-n2cccn2)C1
InChIInChI=1S/C20H23N5O/c1-23-13-10-21-19(23)14-16-6-4-11-24(15-16)20(26)17-7-2-3-8-18(17)25-12-5-9-22-25/h2-3,5,7-10,12-13,16H,4,6,11,14-15H2,1H3
InChIKeyFUIUXXSFLQDTAD-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.70
Rot. Bonds4

About [3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone

[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone (PubChem CID 71847443) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is [3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
PubChem CID71847443
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
SMILESCn1ccnc1CC1CCCN(C(=O)c2ccccc2-n2cccn2)C1
InChIInChI=1S/C20H23N5O/c1-23-13-10-21-19(23)14-16-6-4-11-24(15-16)20(26)17-7-2-3-8-18(17)25-12-5-9-22-25/h2-3,5,7-10,12-13,16H,4,6,11,14-15H2,1H3
InChIKeyFUIUXXSFLQDTAD-UHFFFAOYSA-N
XLogP2.70
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[1-(2-pyrazol-1-ylbenzoyl)piperidin-3-yl]carbamate
CID 87018917
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 110022944
(2R)-2-amino-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one
CID 120992898
2-(2-chlorophenyl)-2-methyl-1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]propan-1-one
CID 126782840
1-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-3-pyrimidin-4-ylpropan-1-one
CID 126776469
(3-hydroxypiperidin-1-yl)-[2-[(1-methylimidazol-2-yl)methylamino]phenyl]methanone
CID 154736364
[2-(4-fluorophenyl)cyclopropyl]-[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 71915908
[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 51119873
(2,4-dimethylpiperazin-1-yl)-(2-pyrazol-1-ylphenyl)methanone
CID 71877253
[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 95736225
[4-(5-fluoropentyl)-1,4-diazepan-1-yl]-(2-pyrazol-1-ylphenyl)methanone
CID 137339403
[(3S)-3-[1-(cyclopropylmethyl)imidazol-2-yl]piperidin-1-yl]-[2-(1,2,4-triazol-1-yl)phenyl]methanone
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Frequently Asked Questions

What is the IUPAC name of [3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone?
The IUPAC name of [3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone (CID 71847443) is [3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for [3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for [3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone is Cn1ccnc1CC1CCCN(C(=O)c2ccccc2-n2cccn2)C1.
What is the InChIKey of [3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone?
The InChIKey is FUIUXXSFLQDTAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-23-13-10-21-19(23)14-16-6-4-11-24(15-16)20(26)17-7-2-3-8-18(17)25-12-5-9-22-25/h2-3,5,7-10,12-13,16H,4,6,11,14-15H2,1H3.
What are the key properties of [3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone?
[3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone has a molecular weight of 349.44 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(2-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 71847443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).