N-(1-phenylpropyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide

C17H19N5O — CID 19264560

IUPACN-(1-phenylpropyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
SMILESCCC(NC(=O)c1ccn(Cn2cccn2)n1)c1ccccc1
InChIInChI=1S/C17H19N5O/c1-2-15(14-7-4-3-5-8-14)19-17(23)16-9-12-22(20-16)13-21-11-6-10-18-21/h3-12,15H,2,13H2,1H3,(H,19,23)
InChIKeyDNQCRSRKIVQYAA-UHFFFAOYSA-N
MW309.37 g/mol
LogP2.47
Rot. Bonds6

About N-(1-phenylpropyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide

N-(1-phenylpropyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide (PubChem CID 19264560) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is N-(1-phenylpropyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-phenylpropyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
PubChem CID19264560
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC NameN-(1-phenylpropyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
SMILESCCC(NC(=O)c1ccn(Cn2cccn2)n1)c1ccccc1
InChIInChI=1S/C17H19N5O/c1-2-15(14-7-4-3-5-8-14)19-17(23)16-9-12-22(20-16)13-21-11-6-10-18-21/h3-12,15H,2,13H2,1H3,(H,19,23)
InChIKeyDNQCRSRKIVQYAA-UHFFFAOYSA-N
XLogP2.47
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(4-methylphenyl)propyl]-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264563
1-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(1-phenylpropyl)pyrazole-3-carboxamide
CID 19270512
1-(phenoxymethyl)-N-(1-phenylpropyl)pyrazole-3-carboxamide
CID 19271107
N-methyl-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264731
2-[3-(1-phenylpropylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19504138
N-(1-phenylpropyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19416921
2-[3-[1-(4-propan-2-ylphenyl)propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500181
1-[2-oxo-2-[[(1S)-1-phenylpropyl]amino]ethyl]pyrazole-3-carboxylic acid
CID 29089973
N-(1-phenylpropyl)pyridine-2-carboxamide
CID 5305559
N-(3,4-dichlorophenyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264492
N-hexyl-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 19264482
1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide
CID 102533990

Frequently Asked Questions

What is the IUPAC name of N-(1-phenylpropyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of N-(1-phenylpropyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide (CID 19264560) is N-(1-phenylpropyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-phenylpropyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-(1-phenylpropyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide is CCC(NC(=O)c1ccn(Cn2cccn2)n1)c1ccccc1.
What is the InChIKey of N-(1-phenylpropyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is DNQCRSRKIVQYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-2-15(14-7-4-3-5-8-14)19-17(23)16-9-12-22(20-16)13-21-11-6-10-18-21/h3-12,15H,2,13H2,1H3,(H,19,23).
What are the key properties of N-(1-phenylpropyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide?
N-(1-phenylpropyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 309.37 g/mol, XLogP of 2.47, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-phenylpropyl)-1-(pyrazol-1-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19264560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).