1-(5-aminoquinolin-6-yl)-N-methylpyrazole-3-carboxamide

C14H13N5O — CID 64780354

IUPAC1-(5-aminoquinolin-6-yl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2ccc3ncccc3c2N)n1
InChIInChI=1S/C14H13N5O/c1-16-14(20)11-6-8-19(18-11)12-5-4-10-9(13(12)15)3-2-7-17-10/h2-8H,15H2,1H3,(H,16,20)
InChIKeyNOTOFZBVZGOULR-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.36
Rot. Bonds2

About 1-(5-aminoquinolin-6-yl)-N-methylpyrazole-3-carboxamide

1-(5-aminoquinolin-6-yl)-N-methylpyrazole-3-carboxamide (PubChem CID 64780354) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 1-(5-aminoquinolin-6-yl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(5-aminoquinolin-6-yl)-N-methylpyrazole-3-carboxamide
PubChem CID64780354
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name1-(5-aminoquinolin-6-yl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2ccc3ncccc3c2N)n1
InChIInChI=1S/C14H13N5O/c1-16-14(20)11-6-8-19(18-11)12-5-4-10-9(13(12)15)3-2-7-17-10/h2-8H,15H2,1H3,(H,16,20)
InChIKeyNOTOFZBVZGOULR-UHFFFAOYSA-N
XLogP1.36
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(5-aminoquinolin-6-yl)-N,N-dimethylpyrazole-3-carboxamide
CID 64781891
1-(5-amino-7-fluoroquinolin-8-yl)-N-methylpyrazole-3-carboxamide
CID 83166188
1-(2-amino-4-methylphenyl)-N-methylpyrazole-3-carboxamide
CID 64782075
1-(2-amino-4-bromophenyl)-N-methylpyrazole-3-carboxamide
CID 64782639
6-(3-cyclopropylpyrazol-1-yl)quinolin-5-amine
CID 62494804
3-amino-4-[3-(methylcarbamoyl)pyrazol-1-yl]benzoic acid
CID 64783070
1-(3-carbamothioyl-2-pyridinyl)-N-methylpyrazole-3-carboxamide
CID 64780765
1-[2-amino-4-(methylcarbamoyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide
CID 82992414
2-[3-(methylcarbamoyl)pyrazol-1-yl]benzoic acid
CID 64781141
1-(2-carbamothioylphenyl)-N-methylpyrazole-3-carboxamide
CID 64780767
1-[4-amino-2-(difluoromethyl)phenyl]-N-methylpyrazole-3-carboxamide
CID 64780167
1-(5-amino-2-pyridinyl)-N-methylpyrazole-3-carboxamide
CID 64782073

Frequently Asked Questions

What is the IUPAC name of 1-(5-aminoquinolin-6-yl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(5-aminoquinolin-6-yl)-N-methylpyrazole-3-carboxamide (CID 64780354) is 1-(5-aminoquinolin-6-yl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(5-aminoquinolin-6-yl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(5-aminoquinolin-6-yl)-N-methylpyrazole-3-carboxamide is CNC(=O)c1ccn(-c2ccc3ncccc3c2N)n1.
What is the InChIKey of 1-(5-aminoquinolin-6-yl)-N-methylpyrazole-3-carboxamide?
The InChIKey is NOTOFZBVZGOULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-16-14(20)11-6-8-19(18-11)12-5-4-10-9(13(12)15)3-2-7-17-10/h2-8H,15H2,1H3,(H,16,20).
What are the key properties of 1-(5-aminoquinolin-6-yl)-N-methylpyrazole-3-carboxamide?
1-(5-aminoquinolin-6-yl)-N-methylpyrazole-3-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-aminoquinolin-6-yl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 64780354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).