[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone

C19H24N4O — CID 129448702

IUPAC[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone
SMILESCc1cnn(C[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2cccnc2)c1
InChIInChI=1S/C19H24N4O/c1-14-10-21-22(12-14)13-16-6-2-3-8-23(16)19(24)18-9-17(18)15-5-4-7-20-11-15/h4-5,7,10-12,16-18H,2-3,6,8-9,13H2,1H3/t16-,17-,18+/m0/s1
InChIKeyAEWOWTCGWZZVSH-OKZBNKHCSA-N
MW324.43 g/mol
LogP2.77
Rot. Bonds4

About [(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone

[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone (PubChem CID 129448702) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is [(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone.

Molecular Properties

Compound Name[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone
PubChem CID129448702
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone
SMILESCc1cnn(C[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2cccnc2)c1
InChIInChI=1S/C19H24N4O/c1-14-10-21-22(12-14)13-16-6-2-3-8-23(16)19(24)18-9-17(18)15-5-4-7-20-11-15/h4-5,7,10-12,16-18H,2-3,6,8-9,13H2,1H3/t16-,17-,18+/m0/s1
InChIKeyAEWOWTCGWZZVSH-OKZBNKHCSA-N
XLogP2.77
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone with MolForge

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Related Compounds

[(1S,2S)-2-(3-fluorophenyl)cyclopropyl]-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 95603407
[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone
CID 95349545
[(1R,2R)-2-(3-methylphenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95346973
[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95352987
[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 56779011
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1R,2R)-2-(trifluoromethyl)cyclohexyl]methanone
CID 129448791
2-[cyclopropyl(methyl)amino]-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 95607626
[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95602840
[(2S)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]-[(1R,2S)-2-pyridin-3-ylcyclopropyl]methanone
CID 95290618
(4S)-1-(cyclopropylmethyl)-4-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]pyrrolidin-2-one
CID 95603206
2-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-N-pyridin-3-ylacetamide
CID 95609283
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 95350860

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone?
The IUPAC name of [(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone (CID 129448702) is [(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone.
What is the SMILES notation for [(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone?
The canonical SMILES for [(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone is Cc1cnn(C[C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2cccnc2)c1.
What is the InChIKey of [(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone?
The InChIKey is AEWOWTCGWZZVSH-OKZBNKHCSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-10-21-22(12-14)13-16-6-2-3-8-23(16)19(24)18-9-17(18)15-5-4-7-20-11-15/h4-5,7,10-12,16-18H,2-3,6,8-9,13H2,1H3/t16-,17-,18+/m0/s1.
What are the key properties of [(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone?
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone has a molecular weight of 324.43 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-[(1R,2R)-2-pyridin-3-ylcyclopropyl]methanone is sourced from PubChem (CID 129448702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).