[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone

C18H25N5O — CID 129461582

IUPAC[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
SMILESCc1cc(C)n(C[C@@H]2CCCN2C(=O)[C@H]2C[C@H]2c2cnn(C)c2)n1
InChIInChI=1S/C18H25N5O/c1-12-7-13(2)23(20-12)11-15-5-4-6-22(15)18(24)17-8-16(17)14-9-19-21(3)10-14/h7,9-10,15-17H,4-6,8,11H2,1-3H3/t15-,16-,17-/m0/s1
InChIKeyPXSCMPMGNLUJPQ-ULQDDVLXSA-N
MW327.43 g/mol
LogP2.03
Rot. Bonds4

About [(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone

[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone (PubChem CID 129461582) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is [(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone.

Molecular Properties

Compound Name[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
PubChem CID129461582
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
SMILESCc1cc(C)n(C[C@@H]2CCCN2C(=O)[C@H]2C[C@H]2c2cnn(C)c2)n1
InChIInChI=1S/C18H25N5O/c1-12-7-13(2)23(20-12)11-15-5-4-6-22(15)18(24)17-8-16(17)14-9-19-21(3)10-14/h7,9-10,15-17H,4-6,8,11H2,1-3H3/t15-,16-,17-/m0/s1
InChIKeyPXSCMPMGNLUJPQ-ULQDDVLXSA-N
XLogP2.03
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone with MolForge

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Related Compounds

[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methanone
CID 95352987
1-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
CID 95766711
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-[(3R)-1-methylpyrrolidin-3-yl]methanone
CID 95350973
(4-chloro-1-methylpyrrol-2-yl)-[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95351800
3,5-dimethyl-1-[[1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyrazole
CID 56780569
[(1R)-2,3-dihydro-1H-inden-1-yl]-[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95606144
[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone
CID 95590717
[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 56779550
[(1S,2R)-2-(3-methylphenyl)cyclopropyl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 129427757
[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-imidazol-5-yl)methanone
CID 95342850
(2-ethylpyrrolidin-1-yl)-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;hydrochloride
CID 120927191
(3-aminopyrazin-2-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 56780200

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone?
The IUPAC name of [(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone (CID 129461582) is [(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone.
What is the SMILES notation for [(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone?
The canonical SMILES for [(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone is Cc1cc(C)n(C[C@@H]2CCCN2C(=O)[C@H]2C[C@H]2c2cnn(C)c2)n1.
What is the InChIKey of [(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone?
The InChIKey is PXSCMPMGNLUJPQ-ULQDDVLXSA-N. The full InChI is InChI=1S/C18H25N5O/c1-12-7-13(2)23(20-12)11-15-5-4-6-22(15)18(24)17-8-16(17)14-9-19-21(3)10-14/h7,9-10,15-17H,4-6,8,11H2,1-3H3/t15-,16-,17-/m0/s1.
What are the key properties of [(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone?
[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone has a molecular weight of 327.43 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-[(1S,2R)-2-(1-methylpyrazol-4-yl)cyclopropyl]methanone is sourced from PubChem (CID 129461582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).