N-[2-(1-benzylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrazole-3-carboxamide

C19H23N5O — CID 126822704

IUPACN-[2-(1-benzylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1nccc1C(=O)NCCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H23N5O/c1-15(2)24-18(9-11-21-24)19(25)20-10-8-17-12-22-23(14-17)13-16-6-4-3-5-7-16/h3-7,9,11-12,14-15H,8,10,13H2,1-2H3,(H,20,25)
InChIKeyWGAFJDKLHNYIMS-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.68
Rot. Bonds7

About N-[2-(1-benzylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrazole-3-carboxamide

N-[2-(1-benzylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrazole-3-carboxamide (PubChem CID 126822704) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-[2-(1-benzylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-benzylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrazole-3-carboxamide
PubChem CID126822704
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-[2-(1-benzylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1nccc1C(=O)NCCc1cnn(Cc2ccccc2)c1
InChIInChI=1S/C19H23N5O/c1-15(2)24-18(9-11-21-24)19(25)20-10-8-17-12-22-23(14-17)13-16-6-4-3-5-7-16/h3-7,9,11-12,14-15H,8,10,13H2,1-2H3,(H,20,25)
InChIKeyWGAFJDKLHNYIMS-UHFFFAOYSA-N
XLogP2.68
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-benzylpyrazol-4-yl)-N-methylethanamine
CID 83886802
N-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)pyrazole-3-carboxamide
CID 19395890
1-benzyl-N-(2-methoxyethyl)pyrazole-4-carboxamide
CID 27659405
[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl] 1-benzylpyrazole-4-carboxylate
CID 16619911
1-methyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 70773858
5-(1-benzylpyrazol-4-yl)-3-oxopentanamide
CID 166794222
2-[5-[(1-benzyl-1,2,4-triazol-3-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19487691
3-(1-benzylpyrazol-4-yl)-N-ethylpropan-1-amine
CID 62717964
1-benzyl-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide;hydrochloride
CID 119501619
(3R)-N-(2-phenylethyl)-3-pyrazol-1-ylbutanamide
CID 92708028
2-propan-2-yl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyrazole-3-carboxamide
CID 126443700
3-(1-benzylpyrazol-4-yl)-N-propylpropan-1-amine
CID 62717965

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(1-benzylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrazole-3-carboxamide (CID 126822704) is N-[2-(1-benzylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(1-benzylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(1-benzylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrazole-3-carboxamide is CC(C)n1nccc1C(=O)NCCc1cnn(Cc2ccccc2)c1.
What is the InChIKey of N-[2-(1-benzylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is WGAFJDKLHNYIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-15(2)24-18(9-11-21-24)19(25)20-10-8-17-12-22-23(14-17)13-16-6-4-3-5-7-16/h3-7,9,11-12,14-15H,8,10,13H2,1-2H3,(H,20,25).
What are the key properties of N-[2-(1-benzylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrazole-3-carboxamide?
N-[2-(1-benzylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 337.43 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylpyrazol-4-yl)ethyl]-2-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 126822704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).