4-amino-N-(4-cyanophenyl)-5-propyl-1H-pyrazole-3-carboxamide

C14H15N5O — CID 62075916

IUPAC4-amino-N-(4-cyanophenyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)Nc2ccc(C#N)cc2)c1N
InChIInChI=1S/C14H15N5O/c1-2-3-11-12(16)13(19-18-11)14(20)17-10-6-4-9(8-15)5-7-10/h4-7H,2-3,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyJPGCPLAMLFEPOK-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.07
Rot. Bonds4

About 4-amino-N-(4-cyanophenyl)-5-propyl-1H-pyrazole-3-carboxamide

4-amino-N-(4-cyanophenyl)-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 62075916) has the molecular formula C14H15N5O and a molecular weight of 269.31 g/mol. Its IUPAC name is 4-amino-N-(4-cyanophenyl)-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-cyanophenyl)-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID62075916
Molecular FormulaC14H15N5O
Molecular Weight269.31 g/mol
Exact Mass269.13
IUPAC Name4-amino-N-(4-cyanophenyl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)Nc2ccc(C#N)cc2)c1N
InChIInChI=1S/C14H15N5O/c1-2-3-11-12(16)13(19-18-11)14(20)17-10-6-4-9(8-15)5-7-10/h4-7H,2-3,16H2,1H3,(H,17,20)(H,18,19)
InChIKeyJPGCPLAMLFEPOK-UHFFFAOYSA-N
XLogP2.07
TPSA107.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(4-methylsulfanylphenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62075447
4-amino-5-ethyl-N-(4-propan-2-ylphenyl)-1H-pyrazole-3-carboxamide
CID 62082857
methyl 3-[(4-amino-5-propyl-1H-pyrazole-3-carbonyl)amino]thiophene-2-carboxylate
CID 62075771
4-amino-N-tert-butyl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075103
4-amino-N-(4-butylphenyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62081041
4-amino-N-(1,3-dimethylpyrazol-4-yl)-5-propyl-1H-pyrazole-3-carboxamide
CID 102803199
4-amino-N-(2-methylsulfanylethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 63981757
4-amino-N-(2-methoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62075273
4-amino-N-(4-fluoro-2-methoxyphenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62077093
3-amino-N-(4-cyanophenyl)-6-propylthieno[2,3-b]pyridine-2-carboxamide
CID 23916903
4-amino-N-(3,5-dimethylphenyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 62082853
4-amino-N-(4-bromo-2-cyanophenyl)-5-ethyl-1H-pyrazole-3-carboxamide
CID 82702489

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-cyanophenyl)-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(4-cyanophenyl)-5-propyl-1H-pyrazole-3-carboxamide (CID 62075916) is 4-amino-N-(4-cyanophenyl)-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4-cyanophenyl)-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(4-cyanophenyl)-5-propyl-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)Nc2ccc(C#N)cc2)c1N.
What is the InChIKey of 4-amino-N-(4-cyanophenyl)-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is JPGCPLAMLFEPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O/c1-2-3-11-12(16)13(19-18-11)14(20)17-10-6-4-9(8-15)5-7-10/h4-7H,2-3,16H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 4-amino-N-(4-cyanophenyl)-5-propyl-1H-pyrazole-3-carboxamide?
4-amino-N-(4-cyanophenyl)-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 269.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-cyanophenyl)-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 62075916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).