(3S)-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide

C13H16N4O — CID 118058043

IUPAC(3S)-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide
SMILESCn1ncc2ccc(N3CC[C@H](C(N)=O)C3)cc21
InChIInChI=1S/C13H16N4O/c1-16-12-6-11(3-2-9(12)7-15-16)17-5-4-10(8-17)13(14)18/h2-3,6-7,10H,4-5,8H2,1H3,(H2,14,18)/t10-/m0/s1
InChIKeyVLUDWMULMQLNTE-JTQLQIEISA-N
MW244.30 g/mol
LogP0.88
Rot. Bonds2

About (3S)-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide

(3S)-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide (PubChem CID 118058043) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is (3S)-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide
PubChem CID118058043
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name(3S)-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide
SMILESCn1ncc2ccc(N3CC[C@H](C(N)=O)C3)cc21
InChIInChI=1S/C13H16N4O/c1-16-12-6-11(3-2-9(12)7-15-16)17-5-4-10(8-17)13(14)18/h2-3,6-7,10H,4-5,8H2,1H3,(H2,14,18)/t10-/m0/s1
InChIKeyVLUDWMULMQLNTE-JTQLQIEISA-N
XLogP0.88
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Methyl-2H-indazol-6-amine
CID 590220
1-[(1-ethyl-2,3-dihydro-1H-indol-5-yl)methyl]-3-(1-methyl-1H-indazol-4-yl)urea
CID 16749467
N-1H-Indazol-4-yl-2,2-dimethylpropanamide
CID 1482887
2-(1H-indazol-1-yl)-N-(4-isopropylphenyl)acetamide
CID 20885372
1-(2,3-Dihydroindol-1-yl)-3-pyrazol-1-ylbutan-1-one
CID 24793689
N-[[1-(4-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide
CID 45269261
2-(1H-indazol-1-yl)-N,N-dimethylacetamide
CID 84583666
1-methyl-1H-indazol-6-amine
CID 840433
N-cyclopentyl-4-(5-methylindazol-1-yl)-4-oxobutanamide
CID 22510145
N-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-3-(2-ketopyrrolidino)propionamide
CID 24817543
N-[6,6-dimethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-(3-methyl-1H-pyrazol-1-yl)propanamide
CID 24817763
N-[[1-(2-methylphenyl)indazol-5-yl]methyl]-2-propylpentanamide
CID 45268408

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide (CID 118058043) is (3S)-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide is Cn1ncc2ccc(N3CC[C@H](C(N)=O)C3)cc21.
What is the InChIKey of (3S)-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide?
The InChIKey is VLUDWMULMQLNTE-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16N4O/c1-16-12-6-11(3-2-9(12)7-15-16)17-5-4-10(8-17)13(14)18/h2-3,6-7,10H,4-5,8H2,1H3,(H2,14,18)/t10-/m0/s1.
What are the key properties of (3S)-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide?
(3S)-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide has a molecular weight of 244.30 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1-methylindazol-6-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 118058043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).