N-(2-aminoethyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide

C16H17N5O — CID 108788938

IUPACN-(2-aminoethyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCN)cnn1-c1ccc2ccccc2n1
InChIInChI=1S/C16H17N5O/c1-11-13(16(22)18-9-8-17)10-19-21(11)15-7-6-12-4-2-3-5-14(12)20-15/h2-7,10H,8-9,17H2,1H3,(H,18,22)
InChIKeyDWNNWRNCLSMLKH-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.42
Rot. Bonds4

About N-(2-aminoethyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide

N-(2-aminoethyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide (PubChem CID 108788938) has the molecular formula C16H17N5O and a molecular weight of 295.35 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
PubChem CID108788938
Molecular FormulaC16H17N5O
Molecular Weight295.35 g/mol
Exact Mass295.14
IUPAC NameN-(2-aminoethyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCCN)cnn1-c1ccc2ccccc2n1
InChIInChI=1S/C16H17N5O/c1-11-13(16(22)18-9-8-17)10-19-21(11)15-7-6-12-4-2-3-5-14(12)20-15/h2-7,10H,8-9,17H2,1H3,(H,18,22)
InChIKeyDWNNWRNCLSMLKH-UHFFFAOYSA-N
XLogP1.42
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxypropyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108789019
N-(2-aminoethyl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793385
3-hydroxy-2-[(5-methyl-1-quinolin-2-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 108801795
5-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788833
N-(2-aminoethyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119382600
N-(5-chloro-2-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788906
N-(4-carbamoylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108789021
5-methyl-N-(oxolan-2-ylmethyl)-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788877
N-[4-[2-(diethylamino)ethylcarbamoyl]phenyl]-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108789018
N-(4-acetylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801834
N-(3-chloro-4-methylphenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108788844
N-(3-chlorophenyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108801833

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide (CID 108788938) is N-(2-aminoethyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)NCCN)cnn1-c1ccc2ccccc2n1.
What is the InChIKey of N-(2-aminoethyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
The InChIKey is DWNNWRNCLSMLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O/c1-11-13(16(22)18-9-8-17)10-19-21(11)15-7-6-12-4-2-3-5-14(12)20-15/h2-7,10H,8-9,17H2,1H3,(H,18,22).
What are the key properties of N-(2-aminoethyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide?
N-(2-aminoethyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide has a molecular weight of 295.35 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-methyl-1-quinolin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 108788938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).