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

C14H12ClN5O — CID 104625471

IUPAC5-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2ccc(Cl)c3cccnc23)c1N
InChIInChI=1S/C14H12ClN5O/c1-20-13(16)9(7-18-20)14(21)19-11-5-4-10(15)8-3-2-6-17-12(8)11/h2-7H,16H2,1H3,(H,19,21)
InChIKeyLRFMTCBHWJBFSO-UHFFFAOYSA-N
MW301.74 g/mol
LogP2.46
Rot. Bonds2

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

5-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-4-carboxamide (PubChem CID 104625471) has the molecular formula C14H12ClN5O and a molecular weight of 301.74 g/mol. Its IUPAC name is 5-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-4-carboxamide
PubChem CID104625471
Molecular FormulaC14H12ClN5O
Molecular Weight301.74 g/mol
Exact Mass301.07
IUPAC Name5-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2ccc(Cl)c3cccnc23)c1N
InChIInChI=1S/C14H12ClN5O/c1-20-13(16)9(7-18-20)14(21)19-11-5-4-10(15)8-3-2-6-17-12(8)11/h2-7H,16H2,1H3,(H,19,21)
InChIKeyLRFMTCBHWJBFSO-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

3-chloro-N-(5-chloroquinolin-8-yl)pyridine-4-carboxamide
CID 66464804
4-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-3-carboxamide
CID 65355080
3-amino-N-(5-chloroquinolin-8-yl)-1H-pyrazole-5-carboxamide
CID 64525415
5-amino-N-(4-bromo-2,3-dichlorophenyl)-1-methylpyrazole-4-carboxamide
CID 107792556
5-amino-N-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-4-carboxamide
CID 115330655
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-(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
methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]benzoate
CID 82546289
N-(5-chloroquinolin-8-yl)piperidine-1-carboxamide
CID 116783798

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-4-carboxamide (CID 104625471) is 5-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-4-carboxamide is Cn1ncc(C(=O)Nc2ccc(Cl)c3cccnc23)c1N.
What is the InChIKey of 5-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-4-carboxamide?
The InChIKey is LRFMTCBHWJBFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O/c1-20-13(16)9(7-18-20)14(21)19-11-5-4-10(15)8-3-2-6-17-12(8)11/h2-7H,16H2,1H3,(H,19,21).
What are the key properties of 5-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-4-carboxamide?
5-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-4-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 5-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 104625471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).