N-(1-benzylpyrazol-4-yl)-1-methyl-3-propylpyrazole-5-carboxamide

C18H21N5O — CID 134701056

IUPACN-(1-benzylpyrazol-4-yl)-1-methyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)Nc2cnn(Cc3ccccc3)c2)n(C)n1
InChIInChI=1S/C18H21N5O/c1-3-7-15-10-17(22(2)21-15)18(24)20-16-11-19-23(13-16)12-14-8-5-4-6-9-14/h4-6,8-11,13H,3,7,12H2,1-2H3,(H,20,24)
InChIKeyVOQJXBSNJSQLDT-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.87
Rot. Bonds6

About N-(1-benzylpyrazol-4-yl)-1-methyl-3-propylpyrazole-5-carboxamide

N-(1-benzylpyrazol-4-yl)-1-methyl-3-propylpyrazole-5-carboxamide (PubChem CID 134701056) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-1-methyl-3-propylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-1-methyl-3-propylpyrazole-5-carboxamide
PubChem CID134701056
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-(1-benzylpyrazol-4-yl)-1-methyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)Nc2cnn(Cc3ccccc3)c2)n(C)n1
InChIInChI=1S/C18H21N5O/c1-3-7-15-10-17(22(2)21-15)18(24)20-16-11-19-23(13-16)12-14-8-5-4-6-9-14/h4-6,8-11,13H,3,7,12H2,1-2H3,(H,20,24)
InChIKeyVOQJXBSNJSQLDT-UHFFFAOYSA-N
XLogP2.87
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
1-N-(1-benzylpyrazol-4-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 166194202
N-(1-benzylpyrazol-4-yl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 55983536
3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide
CID 60552582
N-(4-iodophenyl)-1-methyl-3-propylpyrazole-5-carboxamide
CID 985923
N-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)pyrazole-3-carboxamide
CID 19395890
1-(1-benzylpyrazol-4-yl)-3-[(1,5-dimethylpyrazol-3-yl)methyl]thiourea
CID 19333434
N-(1-benzylpyrazol-4-yl)-5-ethyl-4-methylfuran-2-carboxamide
CID 167972284
N-(1-benzylpyrazol-4-yl)-3-propan-2-yl-1,2-oxazole-5-carboxamide
CID 134701053
2-(aminomethyl)-N-(1-benzylpyrazol-4-yl)pentanamide
CID 65229818
N-(1-benzylpyrazol-4-yl)-2,5-dimethylfuran-3-carboxamide
CID 35761599
3-[3-[(1-benzylpyrazol-4-yl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19506527

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-1-methyl-3-propylpyrazole-5-carboxamide?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-1-methyl-3-propylpyrazole-5-carboxamide (CID 134701056) is N-(1-benzylpyrazol-4-yl)-1-methyl-3-propylpyrazole-5-carboxamide.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-1-methyl-3-propylpyrazole-5-carboxamide?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-1-methyl-3-propylpyrazole-5-carboxamide is CCCc1cc(C(=O)Nc2cnn(Cc3ccccc3)c2)n(C)n1.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-1-methyl-3-propylpyrazole-5-carboxamide?
The InChIKey is VOQJXBSNJSQLDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-3-7-15-10-17(22(2)21-15)18(24)20-16-11-19-23(13-16)12-14-8-5-4-6-9-14/h4-6,8-11,13H,3,7,12H2,1-2H3,(H,20,24).
What are the key properties of N-(1-benzylpyrazol-4-yl)-1-methyl-3-propylpyrazole-5-carboxamide?
N-(1-benzylpyrazol-4-yl)-1-methyl-3-propylpyrazole-5-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 2.87, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-1-methyl-3-propylpyrazole-5-carboxamide is sourced from PubChem (CID 134701056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).