3-amino-N-(5-chloroquinolin-8-yl)-1H-pyrazole-5-carboxamide

C13H10ClN5O — CID 64525415

IUPAC3-amino-N-(5-chloroquinolin-8-yl)-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)Nc2ccc(Cl)c3cccnc23)[nH]n1
InChIInChI=1S/C13H10ClN5O/c14-8-3-4-9(12-7(8)2-1-5-16-12)17-13(20)10-6-11(15)19-18-10/h1-6H,(H,17,20)(H3,15,18,19)
InChIKeyNOLWEASOLILUMV-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.45
Rot. Bonds2

About 3-amino-N-(5-chloroquinolin-8-yl)-1H-pyrazole-5-carboxamide

3-amino-N-(5-chloroquinolin-8-yl)-1H-pyrazole-5-carboxamide (PubChem CID 64525415) has the molecular formula C13H10ClN5O and a molecular weight of 287.71 g/mol. Its IUPAC name is 3-amino-N-(5-chloroquinolin-8-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(5-chloroquinolin-8-yl)-1H-pyrazole-5-carboxamide
PubChem CID64525415
Molecular FormulaC13H10ClN5O
Molecular Weight287.71 g/mol
Exact Mass287.06
IUPAC Name3-amino-N-(5-chloroquinolin-8-yl)-1H-pyrazole-5-carboxamide
SMILESNc1cc(C(=O)Nc2ccc(Cl)c3cccnc23)[nH]n1
InChIInChI=1S/C13H10ClN5O/c14-8-3-4-9(12-7(8)2-1-5-16-12)17-13(20)10-6-11(15)19-18-10/h1-6H,(H,17,20)(H3,15,18,19)
InChIKeyNOLWEASOLILUMV-UHFFFAOYSA-N
XLogP2.45
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-4-carboxamide
CID 104625471
N-(5-chloroquinolin-8-yl)-3-hydroxybenzamide
CID 115577672
3-chloro-N-(5-chloroquinolin-8-yl)pyridine-4-carboxamide
CID 66464804
6-chloro-N-(5-chloroquinolin-8-yl)pyridazine-3-carboxamide
CID 61041185
4-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-3-carboxamide
CID 65355080
3-amino-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 64524808
4,5-dibromo-N-(5-chloroquinolin-8-yl)thiophene-2-carboxamide
CID 78915812
3-amino-N-(5-chloroquinolin-8-yl)-2,2,3-trimethylbutanamide
CID 65269986
2-amino-N-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethyl]acetamide
CID 60928298
2-[2-[(5-chloroquinolin-8-yl)amino]-2-oxoethoxy]acetic acid
CID 61328615
3-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)-1H-pyrazole-5-carboxamide
CID 64524610
3-chloro-N-(5-chloroquinolin-8-yl)-2,2-dimethylpropanamide
CID 63680758

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-chloroquinolin-8-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(5-chloroquinolin-8-yl)-1H-pyrazole-5-carboxamide (CID 64525415) is 3-amino-N-(5-chloroquinolin-8-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(5-chloroquinolin-8-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(5-chloroquinolin-8-yl)-1H-pyrazole-5-carboxamide is Nc1cc(C(=O)Nc2ccc(Cl)c3cccnc23)[nH]n1.
What is the InChIKey of 3-amino-N-(5-chloroquinolin-8-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is NOLWEASOLILUMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O/c14-8-3-4-9(12-7(8)2-1-5-16-12)17-13(20)10-6-11(15)19-18-10/h1-6H,(H,17,20)(H3,15,18,19).
What are the key properties of 3-amino-N-(5-chloroquinolin-8-yl)-1H-pyrazole-5-carboxamide?
3-amino-N-(5-chloroquinolin-8-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 287.71 g/mol, XLogP of 2.45, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-chloroquinolin-8-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64525415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).