[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone

C21H25N5O2 — CID 97280069

IUPAC[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
SMILESCCn1ccnc1[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3OC)c2)C1
InChIInChI=1S/C21H25N5O2/c1-3-24-12-10-22-20(24)16-7-6-11-25(14-16)21(27)17-13-23-26(15-17)18-8-4-5-9-19(18)28-2/h4-5,8-10,12-13,15-16H,3,6-7,11,14H2,1-2H3/t16-/m1/s1
InChIKeyXXZDHJIXZUOQOF-MRXNPFEDSA-N
MW379.46 g/mol
LogP3.12
Rot. Bonds5

About [(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone

[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone (PubChem CID 97280069) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is [(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
PubChem CID97280069
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
SMILESCCn1ccnc1[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3OC)c2)C1
InChIInChI=1S/C21H25N5O2/c1-3-24-12-10-22-20(24)16-7-6-11-25(14-16)21(27)17-13-23-26(15-17)18-8-4-5-9-19(18)28-2/h4-5,8-10,12-13,15-16H,3,6-7,11,14H2,1-2H3/t16-/m1/s1
InChIKeyXXZDHJIXZUOQOF-MRXNPFEDSA-N
XLogP3.12
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone with MolForge

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Related Compounds

[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]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 96575104
[1-(2-methoxyphenyl)pyrazol-4-yl]-[(2S)-2-(pyrazol-1-ylmethyl)-1,4-oxazepan-4-yl]methanone
CID 97153764
(1-ethylpyrazol-4-yl)-[(3S)-3-[1-(pyridin-2-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97142614
[1-(2-methoxyphenyl)pyrazol-4-yl]-[(2S)-2-phenylmorpholin-4-yl]methanone
CID 97134508
[(3S)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-(3-hydroxy-2-pyridinyl)methanone
CID 97133000
[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-[1-(2-methoxyethyl)imidazol-2-yl]piperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 72858370
[1-(2-methoxyphenyl)pyrazol-4-yl]-[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]methanone
CID 70784414
(1-ethylpyrazol-4-yl)-[(3R)-3-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]methanone
CID 97283849
(2,4-dimethyl-1,3-thiazol-5-yl)-[3-(1-ethylimidazol-2-yl)piperidin-1-yl]methanone
CID 70769626

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone?
The IUPAC name of [(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone (CID 97280069) is [(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone.
What is the SMILES notation for [(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone?
The canonical SMILES for [(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone is CCn1ccnc1[C@@H]1CCCN(C(=O)c2cnn(-c3ccccc3OC)c2)C1.
What is the InChIKey of [(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone?
The InChIKey is XXZDHJIXZUOQOF-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-3-24-12-10-22-20(24)16-7-6-11-25(14-16)21(27)17-13-23-26(15-17)18-8-4-5-9-19(18)28-2/h4-5,8-10,12-13,15-16H,3,6-7,11,14H2,1-2H3/t16-/m1/s1.
What are the key properties of [(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone?
[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone has a molecular weight of 379.46 g/mol, XLogP of 3.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone is sourced from PubChem (CID 97280069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).