4-amino-N-(4-chloro-3-cyanophenyl)-1-methylpyrazole-3-carboxamide

C12H10ClN5O — CID 65354494

IUPAC4-amino-N-(4-chloro-3-cyanophenyl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)Nc2ccc(Cl)c(C#N)c2)n1
InChIInChI=1S/C12H10ClN5O/c1-18-6-10(15)11(17-18)12(19)16-8-2-3-9(13)7(4-8)5-14/h2-4,6H,15H2,1H3,(H,16,19)
InChIKeyHFFUPESGTWVOTI-UHFFFAOYSA-N
MW275.70 g/mol
LogP1.78
Rot. Bonds2

About 4-amino-N-(4-chloro-3-cyanophenyl)-1-methylpyrazole-3-carboxamide

4-amino-N-(4-chloro-3-cyanophenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 65354494) has the molecular formula C12H10ClN5O and a molecular weight of 275.70 g/mol. Its IUPAC name is 4-amino-N-(4-chloro-3-cyanophenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-chloro-3-cyanophenyl)-1-methylpyrazole-3-carboxamide
PubChem CID65354494
Molecular FormulaC12H10ClN5O
Molecular Weight275.70 g/mol
Exact Mass275.06
IUPAC Name4-amino-N-(4-chloro-3-cyanophenyl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(N)c(C(=O)Nc2ccc(Cl)c(C#N)c2)n1
InChIInChI=1S/C12H10ClN5O/c1-18-6-10(15)11(17-18)12(19)16-8-2-3-9(13)7(4-8)5-14/h2-4,6H,15H2,1H3,(H,16,19)
InChIKeyHFFUPESGTWVOTI-UHFFFAOYSA-N
XLogP1.78
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-cyano-1-methylpyrazol-3-yl)-3-(3,4-dichlorophenyl)urea
CID 104593247
4-amino-N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-methylpyrazole-3-carboxamide
CID 65354860
4-amino-N-(5-chloro-2-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 65355117
4-amino-N-(6-bromo-3-pyridinyl)-1-methylpyrazole-3-carboxamide
CID 114051422
4-amino-N-[3-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrazole-3-carboxamide
CID 116698676
2-amino-N-(4-chloro-3-cyanophenyl)propanamide
CID 43703829
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-(4-chloro-3-cyanophenyl)acetamide
CID 61118687
4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 65355061
4-amino-1-methyl-N-(4-propoxyphenyl)pyrazole-3-carboxamide
CID 65353904
N-(4-chloro-3-cyanophenyl)-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 61259853
4-amino-1-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-3-carboxamide
CID 65355126
N-(4-chloro-3-cyanophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55580012

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-chloro-3-cyanophenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(4-chloro-3-cyanophenyl)-1-methylpyrazole-3-carboxamide (CID 65354494) is 4-amino-N-(4-chloro-3-cyanophenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-chloro-3-cyanophenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-chloro-3-cyanophenyl)-1-methylpyrazole-3-carboxamide is Cn1cc(N)c(C(=O)Nc2ccc(Cl)c(C#N)c2)n1.
What is the InChIKey of 4-amino-N-(4-chloro-3-cyanophenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is HFFUPESGTWVOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN5O/c1-18-6-10(15)11(17-18)12(19)16-8-2-3-9(13)7(4-8)5-14/h2-4,6H,15H2,1H3,(H,16,19).
What are the key properties of 4-amino-N-(4-chloro-3-cyanophenyl)-1-methylpyrazole-3-carboxamide?
4-amino-N-(4-chloro-3-cyanophenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 275.70 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-chloro-3-cyanophenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 65354494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).