4-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-3-carboxamide

C14H12ClN5O — CID 65355080

IUPAC4-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)Nc2ccc(Cl)c3cccnc23)n1
InChIInChI=1S/C14H12ClN5O/c1-20-7-10(16)13(19-20)14(21)18-11-5-4-9(15)8-3-2-6-17-12(8)11/h2-7H,16H2,1H3,(H,18,21)
InChIKeyDZWLNDGAROTHJE-UHFFFAOYSA-N
MW301.74 g/mol
LogP2.46
Rot. Bonds2

About 4-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-3-carboxamide

4-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-3-carboxamide (PubChem CID 65355080) has the molecular formula C14H12ClN5O and a molecular weight of 301.74 g/mol. Its IUPAC name is 4-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-3-carboxamide
PubChem CID65355080
Molecular FormulaC14H12ClN5O
Molecular Weight301.74 g/mol
Exact Mass301.07
IUPAC Name4-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)Nc2ccc(Cl)c3cccnc23)n1
InChIInChI=1S/C14H12ClN5O/c1-20-7-10(16)13(19-20)14(21)18-11-5-4-9(15)8-3-2-6-17-12(8)11/h2-7H,16H2,1H3,(H,18,21)
InChIKeyDZWLNDGAROTHJE-UHFFFAOYSA-N
XLogP2.46
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-4-carboxamide
CID 104625471
3-amino-N-(5-chloroquinolin-8-yl)-1H-pyrazole-5-carboxamide
CID 64525415
4-amino-N-(5-chloro-2-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 65355117
3-chloro-N-(5-chloroquinolin-8-yl)pyridine-4-carboxamide
CID 66464804
6-chloro-N-(5-chloroquinolin-8-yl)pyridazine-3-carboxamide
CID 61041185
3-amino-N-(5-chloroquinolin-8-yl)-2,2,3-trimethylbutanamide
CID 65269986
N-(6-chloroquinolin-8-yl)-1,4-dimethylpyrazole-3-carboxamide
CID 166321071
N-(5-chloroquinolin-8-yl)-3-hydroxybenzamide
CID 115577672
4,5-dibromo-N-(5-chloroquinolin-8-yl)thiophene-2-carboxamide
CID 78915812
3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide
CID 63680758
4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 65355061
N-(5-chloroquinolin-8-yl)piperidine-1-carboxamide
CID 116783798

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-3-carboxamide (CID 65355080) is 4-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-3-carboxamide is Cn1cc(N)c(C(=O)Nc2ccc(Cl)c3cccnc23)n1.
What is the InChIKey of 4-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-3-carboxamide?
The InChIKey is DZWLNDGAROTHJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O/c1-20-7-10(16)13(19-20)14(21)18-11-5-4-9(15)8-3-2-6-17-12(8)11/h2-7H,16H2,1H3,(H,18,21).
What are the key properties of 4-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-3-carboxamide?
4-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-3-carboxamide has a molecular weight of 301.74 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 65355080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).