5-amino-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide

C14H13N5O — CID 115330770

IUPAC5-amino-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2cnc3ccccc3c2)c1N
InChIInChI=1S/C14H13N5O/c1-19-13(15)11(8-17-19)14(20)18-10-6-9-4-2-3-5-12(9)16-7-10/h2-8H,15H2,1H3,(H,18,20)
InChIKeyDWBBMXILEXKERN-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.80
Rot. Bonds2

About 5-amino-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide

5-amino-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide (PubChem CID 115330770) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-amino-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide
PubChem CID115330770
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name5-amino-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2cnc3ccccc3c2)c1N
InChIInChI=1S/C14H13N5O/c1-19-13(15)11(8-17-19)14(20)18-10-6-9-4-2-3-5-12(9)16-7-10/h2-8H,15H2,1H3,(H,18,20)
InChIKeyDWBBMXILEXKERN-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,5-dimethylpyrrol-1-yl)-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide
CID 91641810
3-amino-2-methyl-N-quinolin-3-ylbenzamide
CID 61111679
2,4,5-trimethoxy-N-quinolin-3-ylbenzamide
CID 18146468
3-amino-N-quinolin-3-yl-1H-pyrazole-5-carboxamide
CID 64523845
5-amino-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
CID 82547033
2-amino-3-chloro-N-quinolin-3-ylbenzamide
CID 115540223
2-amino-4-chloro-N-quinolin-3-ylbenzamide
CID 61111494
5-amino-N-(4-bromophenyl)-1-methylpyrazole-4-carboxamide
CID 80504044
6-amino-N-quinolin-3-ylpyridine-2-carboxamide
CID 62805980
2-chloro-5-hydroxy-N-quinolin-3-ylbenzamide
CID 106501765
4-methyl-N-quinolin-3-ylbenzamide
CID 974969
2-(dimethylamino)-N-quinolin-3-ylpyridine-3-carboxamide
CID 38938974

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide (CID 115330770) is 5-amino-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide is Cn1ncc(C(=O)Nc2cnc3ccccc3c2)c1N.
What is the InChIKey of 5-amino-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide?
The InChIKey is DWBBMXILEXKERN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-19-13(15)11(8-17-19)14(20)18-10-6-9-4-2-3-5-12(9)16-7-10/h2-8H,15H2,1H3,(H,18,20).
What are the key properties of 5-amino-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide?
5-amino-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 115330770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).