(3S)-N-(2-propan-2-ylindazol-5-yl)pyrrolidine-3-carboxamide

C15H20N4O — CID 99705803

IUPAC(3S)-N-(2-propan-2-ylindazol-5-yl)pyrrolidine-3-carboxamide
SMILESCC(C)n1cc2cc(NC(=O)[C@H]3CCNC3)ccc2n1
InChIInChI=1S/C15H20N4O/c1-10(2)19-9-12-7-13(3-4-14(12)18-19)17-15(20)11-5-6-16-8-11/h3-4,7,9-11,16H,5-6,8H2,1-2H3,(H,17,20)/t11-/m0/s1
InChIKeyUYDOJPHZFDEXRX-NSHDSACASA-N
MW272.35 g/mol
LogP2.17
Rot. Bonds3

About (3S)-N-(2-propan-2-ylindazol-5-yl)pyrrolidine-3-carboxamide

(3S)-N-(2-propan-2-ylindazol-5-yl)pyrrolidine-3-carboxamide (PubChem CID 99705803) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is (3S)-N-(2-propan-2-ylindazol-5-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-propan-2-ylindazol-5-yl)pyrrolidine-3-carboxamide
PubChem CID99705803
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name(3S)-N-(2-propan-2-ylindazol-5-yl)pyrrolidine-3-carboxamide
SMILESCC(C)n1cc2cc(NC(=O)[C@H]3CCNC3)ccc2n1
InChIInChI=1S/C15H20N4O/c1-10(2)19-9-12-7-13(3-4-14(12)18-19)17-15(20)11-5-6-16-8-11/h3-4,7,9-11,16H,5-6,8H2,1-2H3,(H,17,20)/t11-/m0/s1
InChIKeyUYDOJPHZFDEXRX-NSHDSACASA-N
XLogP2.17
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-hydroxycyclohexyl)-3-(2-propan-2-ylindazol-5-yl)urea
CID 111578705
N-[4-(2-methylpropanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 63006806
(3S)-N-(1-propan-2-ylpyrazol-4-yl)piperidine-3-carboxamide
CID 81139176
N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 63005932
N-(2-methylsulfanyl-1,3-benzothiazol-6-yl)pyrrolidine-3-carboxamide
CID 55150236
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
N-[4-(propanoylamino)phenyl]pyrrolidine-3-carboxamide
CID 55151727
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 119726041
1-(2-cyanobenzoyl)-N-(2-propan-2-ylindazol-6-yl)piperidine-4-carboxamide
CID 46909213
N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine-3-carboxamide
CID 115159350
N-[3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]pyrrolidine-3-carboxamide
CID 119759000
N-(1-ethyl-6-oxo-3-pyridinyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119723783

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-propan-2-ylindazol-5-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-(2-propan-2-ylindazol-5-yl)pyrrolidine-3-carboxamide (CID 99705803) is (3S)-N-(2-propan-2-ylindazol-5-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-(2-propan-2-ylindazol-5-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-(2-propan-2-ylindazol-5-yl)pyrrolidine-3-carboxamide is CC(C)n1cc2cc(NC(=O)[C@H]3CCNC3)ccc2n1.
What is the InChIKey of (3S)-N-(2-propan-2-ylindazol-5-yl)pyrrolidine-3-carboxamide?
The InChIKey is UYDOJPHZFDEXRX-NSHDSACASA-N. The full InChI is InChI=1S/C15H20N4O/c1-10(2)19-9-12-7-13(3-4-14(12)18-19)17-15(20)11-5-6-16-8-11/h3-4,7,9-11,16H,5-6,8H2,1-2H3,(H,17,20)/t11-/m0/s1.
What are the key properties of (3S)-N-(2-propan-2-ylindazol-5-yl)pyrrolidine-3-carboxamide?
(3S)-N-(2-propan-2-ylindazol-5-yl)pyrrolidine-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-propan-2-ylindazol-5-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 99705803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).