4-amino-N-(4-cyanophenyl)-N,1,3-trimethylpyrazole-5-carboxamide

C14H15N5O — CID 66125175

IUPAC4-amino-N-(4-cyanophenyl)-N,1,3-trimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)N(C)c2ccc(C#N)cc2)c1N
InChIInChI=1S/C14H15N5O/c1-9-12(16)13(19(3)17-9)14(20)18(2)11-6-4-10(8-15)5-7-11/h4-7H,16H2,1-3H3
InChIKeyDQYXOTFCUGPXHT-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.46
Rot. Bonds2

About 4-amino-N-(4-cyanophenyl)-N,1,3-trimethylpyrazole-5-carboxamide

4-amino-N-(4-cyanophenyl)-N,1,3-trimethylpyrazole-5-carboxamide (PubChem CID 66125175) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-amino-N-(4-cyanophenyl)-N,1,3-trimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-cyanophenyl)-N,1,3-trimethylpyrazole-5-carboxamide
PubChem CID66125175
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name4-amino-N-(4-cyanophenyl)-N,1,3-trimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)N(C)c2ccc(C#N)cc2)c1N
InChIInChI=1S/C14H15N5O/c1-9-12(16)13(19(3)17-9)14(20)18(2)11-6-4-10(8-15)5-7-11/h4-7H,16H2,1-3H3
InChIKeyDQYXOTFCUGPXHT-UHFFFAOYSA-N
XLogP1.46
TPSA87.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-cyanophenyl)-N,1,3-trimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(4-cyanophenyl)-N,1,3-trimethylpyrazole-5-carboxamide (CID 66125175) is 4-amino-N-(4-cyanophenyl)-N,1,3-trimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-cyanophenyl)-N,1,3-trimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-cyanophenyl)-N,1,3-trimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)N(C)c2ccc(C#N)cc2)c1N.
What is the InChIKey of 4-amino-N-(4-cyanophenyl)-N,1,3-trimethylpyrazole-5-carboxamide?
The InChIKey is DQYXOTFCUGPXHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-9-12(16)13(19(3)17-9)14(20)18(2)11-6-4-10(8-15)5-7-11/h4-7H,16H2,1-3H3.
What are the key properties of 4-amino-N-(4-cyanophenyl)-N,1,3-trimethylpyrazole-5-carboxamide?
4-amino-N-(4-cyanophenyl)-N,1,3-trimethylpyrazole-5-carboxamide has a molecular weight of 269.31 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-cyanophenyl)-N,1,3-trimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66125175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).