(5-cyclopropyl-1H-pyrazol-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone

C14H18N6O — CID 120949596

IUPAC(5-cyclopropyl-1H-pyrazol-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cn[nH]c1C1CC1)N1CCC[C@H]1Cn1ccnn1
InChIInChI=1S/C14H18N6O/c21-14(12-8-16-17-13(12)10-3-4-10)20-6-1-2-11(20)9-19-7-5-15-18-19/h5,7-8,10-11H,1-4,6,9H2,(H,16,17)/t11-/m0/s1
InChIKeyIMRNNPJLFCMICF-NSHDSACASA-N
MW286.34 g/mol
LogP1.18
Rot. Bonds4

About (5-cyclopropyl-1H-pyrazol-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone

(5-cyclopropyl-1H-pyrazol-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 120949596) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is (5-cyclopropyl-1H-pyrazol-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1H-pyrazol-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID120949596
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name(5-cyclopropyl-1H-pyrazol-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1cn[nH]c1C1CC1)N1CCC[C@H]1Cn1ccnn1
InChIInChI=1S/C14H18N6O/c21-14(12-8-16-17-13(12)10-3-4-10)20-6-1-2-11(20)9-19-7-5-15-18-19/h5,7-8,10-11H,1-4,6,9H2,(H,16,17)/t11-/m0/s1
InChIKeyIMRNNPJLFCMICF-NSHDSACASA-N
XLogP1.18
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-cyclopropyl-1H-pyrazol-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(5-cyclohexyl-1H-pyrazol-4-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95607665
(3-chloro-4-pyridinyl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949710
(1-cyclopentyl-5-methylpyrazol-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949755
(5-chloro-2-pyridinyl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949586
6-propan-2-yl-4-[(2S)-2-(triazol-1-ylmethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 120949756
[2-fluoro-3-(trifluoromethyl)phenyl]-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949588
(1,6-dimethylpyrazolo[3,4-b]pyridin-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949655
[3-methyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949557
2-chloro-1-[2-(triazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 154846667
[(2S)-2-(triazol-1-ylmethyl)piperidin-1-yl]-[2-(trifluoromethyl)pyrimidin-5-yl]methanone
CID 99856614
(5-methyl-2-pentan-3-ylpyrazol-3-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 120949713
(2,4-dimethoxyphenyl)-[(2S)-2-(triazol-1-ylmethyl)piperidin-1-yl]methanone
CID 97254793

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1H-pyrazol-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1H-pyrazol-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 120949596) is (5-cyclopropyl-1H-pyrazol-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1H-pyrazol-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1H-pyrazol-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone is O=C(c1cn[nH]c1C1CC1)N1CCC[C@H]1Cn1ccnn1.
What is the InChIKey of (5-cyclopropyl-1H-pyrazol-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is IMRNNPJLFCMICF-NSHDSACASA-N. The full InChI is InChI=1S/C14H18N6O/c21-14(12-8-16-17-13(12)10-3-4-10)20-6-1-2-11(20)9-19-7-5-15-18-19/h5,7-8,10-11H,1-4,6,9H2,(H,16,17)/t11-/m0/s1.
What are the key properties of (5-cyclopropyl-1H-pyrazol-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
(5-cyclopropyl-1H-pyrazol-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 286.34 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1H-pyrazol-4-yl)-[(2S)-2-(triazol-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 120949596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).