4-amino-N-[(4-ethylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide

C16H22N4O — CID 106899103

IUPAC4-amino-N-[(4-ethylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NCc2ccc(CC)cc2)c1N
InChIInChI=1S/C16H22N4O/c1-3-5-13-14(17)15(20-19-13)16(21)18-10-12-8-6-11(4-2)7-9-12/h6-9H,3-5,10,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyLJRYZIJTBLOTBD-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.44
Rot. Bonds6

About 4-amino-N-[(4-ethylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide

4-amino-N-[(4-ethylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 106899103) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-amino-N-[(4-ethylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-ethylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID106899103
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-amino-N-[(4-ethylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)NCc2ccc(CC)cc2)c1N
InChIInChI=1S/C16H22N4O/c1-3-5-13-14(17)15(20-19-13)16(21)18-10-12-8-6-11(4-2)7-9-12/h6-9H,3-5,10,17H2,1-2H3,(H,18,21)(H,19,20)
InChIKeyLJRYZIJTBLOTBD-UHFFFAOYSA-N
XLogP2.44
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[(3,4-difluorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62076796
4-amino-N-[(3-methylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62077427
4-amino-N-[(4-chlorophenyl)methyl]-5-ethyl-1H-pyrazole-3-carboxamide
CID 62082153
4-amino-N-[(3-methyl-4-pyridinyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 114698169
4-amino-N-[(4,5-dimethylthiophen-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 65241562
4-amino-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 115988894
4-amino-5-ethyl-N-[[3-(hydroxymethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 107210252
4-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 106368577
4-amino-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 62076450
4-amino-N-(2-methoxyethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 62075273
4-amino-N-(2,2-difluoroethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 115405291
4-amino-N-(2-methylsulfanylethyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 63981757

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-ethylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-[(4-ethylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide (CID 106899103) is 4-amino-N-[(4-ethylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-ethylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-[(4-ethylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)NCc2ccc(CC)cc2)c1N.
What is the InChIKey of 4-amino-N-[(4-ethylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is LJRYZIJTBLOTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-3-5-13-14(17)15(20-19-13)16(21)18-10-12-8-6-11(4-2)7-9-12/h6-9H,3-5,10,17H2,1-2H3,(H,18,21)(H,19,20).
What are the key properties of 4-amino-N-[(4-ethylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide?
4-amino-N-[(4-ethylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.44, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-ethylphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 106899103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).