5-methyl-N-(5-naphthalen-2-yl-1H-pyrazol-3-yl)-1-propylpyrazole-4-carboxamide

C21H21N5O — CID 166376138

IUPAC5-methyl-N-(5-naphthalen-2-yl-1H-pyrazol-3-yl)-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)Nc2cc(-c3ccc4ccccc4c3)[nH]n2)c1C
InChIInChI=1S/C21H21N5O/c1-3-10-26-14(2)18(13-22-26)21(27)23-20-12-19(24-25-20)17-9-8-15-6-4-5-7-16(15)11-17/h4-9,11-13H,3,10H2,1-2H3,(H2,23,24,25,27)
InChIKeyVYOVNZHBXPMAGF-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.40
Rot. Bonds5

About 5-methyl-N-(5-naphthalen-2-yl-1H-pyrazol-3-yl)-1-propylpyrazole-4-carboxamide

5-methyl-N-(5-naphthalen-2-yl-1H-pyrazol-3-yl)-1-propylpyrazole-4-carboxamide (PubChem CID 166376138) has the molecular formula C21H21N5O and a molecular weight of 359.43 g/mol. Its IUPAC name is 5-methyl-N-(5-naphthalen-2-yl-1H-pyrazol-3-yl)-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(5-naphthalen-2-yl-1H-pyrazol-3-yl)-1-propylpyrazole-4-carboxamide
PubChem CID166376138
Molecular FormulaC21H21N5O
Molecular Weight359.43 g/mol
Exact Mass359.17
IUPAC Name5-methyl-N-(5-naphthalen-2-yl-1H-pyrazol-3-yl)-1-propylpyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)Nc2cc(-c3ccc4ccccc4c3)[nH]n2)c1C
InChIInChI=1S/C21H21N5O/c1-3-10-26-14(2)18(13-22-26)21(27)23-20-12-19(24-25-20)17-9-8-15-6-4-5-7-16(15)11-17/h4-9,11-13H,3,10H2,1-2H3,(H2,23,24,25,27)
InChIKeyVYOVNZHBXPMAGF-UHFFFAOYSA-N
XLogP4.40
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-5-methylpyrazole-4-carboxamide
CID 2738780
N-[5-(4-chlorophenyl)-1H-pyrazol-3-yl]-2-methylbenzamide
CID 855627
5-methyl-N-[2-(piperidin-1-ylmethyl)phenyl]-1-propylpyrazole-4-carboxamide
CID 46968234
N-(2-aminoethyl)-5-methyl-1-propylpyrazole-4-carboxamide
CID 19621017
1-ethyl-5-methyl-N-(1-methylbenzimidazol-2-yl)pyrazole-4-carboxamide
CID 19280706
(2R)-2-(3-fluorophenyl)-2-[(5-methyl-1-propylpyrazole-4-carbonyl)amino]acetic acid
CID 97286145
N-(5-phenyl-1H-pyrazol-3-yl)butanamide
CID 110868179
1-ethyl-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-4-carboxamide
CID 844731
N-[5-(4-methylphenyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide
CID 167971745
N-[5-(5-ethyl-3-pyridinyl)-1H-pyrazol-3-yl]-2-naphthalen-2-ylacetamide
CID 21262993
5-ethyl-1-(4-fluorophenyl)-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]pyrazole-4-carboxamide
CID 56552513
1-(4-chlorophenyl)-N-(5-phenyl-1H-pyrazol-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 90928285

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(5-naphthalen-2-yl-1H-pyrazol-3-yl)-1-propylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-(5-naphthalen-2-yl-1H-pyrazol-3-yl)-1-propylpyrazole-4-carboxamide (CID 166376138) is 5-methyl-N-(5-naphthalen-2-yl-1H-pyrazol-3-yl)-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-(5-naphthalen-2-yl-1H-pyrazol-3-yl)-1-propylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-(5-naphthalen-2-yl-1H-pyrazol-3-yl)-1-propylpyrazole-4-carboxamide is CCCn1ncc(C(=O)Nc2cc(-c3ccc4ccccc4c3)[nH]n2)c1C.
What is the InChIKey of 5-methyl-N-(5-naphthalen-2-yl-1H-pyrazol-3-yl)-1-propylpyrazole-4-carboxamide?
The InChIKey is VYOVNZHBXPMAGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O/c1-3-10-26-14(2)18(13-22-26)21(27)23-20-12-19(24-25-20)17-9-8-15-6-4-5-7-16(15)11-17/h4-9,11-13H,3,10H2,1-2H3,(H2,23,24,25,27).
What are the key properties of 5-methyl-N-(5-naphthalen-2-yl-1H-pyrazol-3-yl)-1-propylpyrazole-4-carboxamide?
5-methyl-N-(5-naphthalen-2-yl-1H-pyrazol-3-yl)-1-propylpyrazole-4-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(5-naphthalen-2-yl-1H-pyrazol-3-yl)-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 166376138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).