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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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).