1H-indazol-5-yl-[(2R)-2-(2-methylpropyl)pyrrolidin-2-yl]methanone

C16H21N3O — CID 59744832

IUPAC1H-indazol-5-yl-[(2R)-2-(2-methylpropyl)pyrrolidin-2-yl]methanone
SMILESCC(C)C[C@@]1(C(=O)c2ccc3[nH]ncc3c2)CCCN1
InChIInChI=1S/C16H21N3O/c1-11(2)9-16(6-3-7-17-16)15(20)12-4-5-14-13(8-12)10-18-19-14/h4-5,8,10-11,17H,3,6-7,9H2,1-2H3,(H,18,19)/t16-/m1/s1
InChIKeyHXVMFBSINMZKRO-MRXNPFEDSA-N
MW271.36 g/mol
LogP2.91
Rot. Bonds4

About 1H-indazol-5-yl-[(2R)-2-(2-methylpropyl)pyrrolidin-2-yl]methanone

1H-indazol-5-yl-[(2R)-2-(2-methylpropyl)pyrrolidin-2-yl]methanone (PubChem CID 59744832) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1H-indazol-5-yl-[(2R)-2-(2-methylpropyl)pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name1H-indazol-5-yl-[(2R)-2-(2-methylpropyl)pyrrolidin-2-yl]methanone
PubChem CID59744832
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1H-indazol-5-yl-[(2R)-2-(2-methylpropyl)pyrrolidin-2-yl]methanone
SMILESCC(C)C[C@@]1(C(=O)c2ccc3[nH]ncc3c2)CCCN1
InChIInChI=1S/C16H21N3O/c1-11(2)9-16(6-3-7-17-16)15(20)12-4-5-14-13(8-12)10-18-19-14/h4-5,8,10-11,17H,3,6-7,9H2,1-2H3,(H,18,19)/t16-/m1/s1
InChIKeyHXVMFBSINMZKRO-MRXNPFEDSA-N
XLogP2.91
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-butylpyrrolidin-3-yl)-(1H-indazol-5-yl)methanone
CID 59744849
N-[(2R)-1-hydroxypropan-2-yl]-1H-indazole-5-carboxamide
CID 79027801
N-(1H-indazol-6-yl)-2-propylpyrrolidine-2-carboxamide
CID 106974446
3-(1H-indazole-5-carbonylamino)butanoic acid
CID 43172665
N-methyl-1H-indazole-5-carboxamide
CID 22934041
N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-5-carboxamide
CID 109381268
(2-ethylpyrrolidin-2-yl)-(4-methylphenyl)methanone
CID 116608082
N-(2-amino-2-oxoethyl)-1H-indazole-5-carboxamide
CID 63929072
[(2R)-2-benzylpyrrolidin-2-yl]-(1H-indol-5-yl)methanone
CID 59744730
N-[4-(propan-2-ylamino)cyclohexyl]-1H-indazole-5-carboxamide
CID 18447571
(2R)-2-(1H-indazole-5-carbonylamino)-3-methylbutanoic acid
CID 79011193
N-(2-hydroxy-4,4-dimethylpentyl)-1H-indazole-5-carboxamide
CID 103719083

Frequently Asked Questions

What is the IUPAC name of 1H-indazol-5-yl-[(2R)-2-(2-methylpropyl)pyrrolidin-2-yl]methanone?
The IUPAC name of 1H-indazol-5-yl-[(2R)-2-(2-methylpropyl)pyrrolidin-2-yl]methanone (CID 59744832) is 1H-indazol-5-yl-[(2R)-2-(2-methylpropyl)pyrrolidin-2-yl]methanone.
What is the SMILES notation for 1H-indazol-5-yl-[(2R)-2-(2-methylpropyl)pyrrolidin-2-yl]methanone?
The canonical SMILES for 1H-indazol-5-yl-[(2R)-2-(2-methylpropyl)pyrrolidin-2-yl]methanone is CC(C)C[C@@]1(C(=O)c2ccc3[nH]ncc3c2)CCCN1.
What is the InChIKey of 1H-indazol-5-yl-[(2R)-2-(2-methylpropyl)pyrrolidin-2-yl]methanone?
The InChIKey is HXVMFBSINMZKRO-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H21N3O/c1-11(2)9-16(6-3-7-17-16)15(20)12-4-5-14-13(8-12)10-18-19-14/h4-5,8,10-11,17H,3,6-7,9H2,1-2H3,(H,18,19)/t16-/m1/s1.
What are the key properties of 1H-indazol-5-yl-[(2R)-2-(2-methylpropyl)pyrrolidin-2-yl]methanone?
1H-indazol-5-yl-[(2R)-2-(2-methylpropyl)pyrrolidin-2-yl]methanone has a molecular weight of 271.36 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indazol-5-yl-[(2R)-2-(2-methylpropyl)pyrrolidin-2-yl]methanone is sourced from PubChem (CID 59744832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).