N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide

C10H17N3O — CID 19282106

IUPACN-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide
SMILESCCCC(=O)NCc1cnn(C)c1C
InChIInChI=1S/C10H17N3O/c1-4-5-10(14)11-6-9-7-12-13(3)8(9)2/h7H,4-6H2,1-3H3,(H,11,14)
InChIKeyMIZFTOGCSFOCRU-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.14
Rot. Bonds4

About N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide

N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide (PubChem CID 19282106) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide.

Molecular Properties

Compound NameN-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide
PubChem CID19282106
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide
SMILESCCCC(=O)NCc1cnn(C)c1C
InChIInChI=1S/C10H17N3O/c1-4-5-10(14)11-6-9-7-12-13(3)8(9)2/h7H,4-6H2,1-3H3,(H,11,14)
InChIKeyMIZFTOGCSFOCRU-UHFFFAOYSA-N
XLogP1.14
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dibromo-N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-1-methylcyclopropanecarboxamide
CID 3645007
2,2-dichloro-N-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]-1-methylcyclopropanecarboxamide
CID 4550191
4-{[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]amino}-4-oxobutanoic acid
CID 841483
1-Cyclohexyl-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea
CID 831712
N-butyl-N'-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 4121012
2,2-dichloro-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1-methylcyclopropanecarboxamide
CID 4433988
(5-methyl-1-(2-methylpropyl)-1H-pyrazol-4-yl)methanamine
CID 60866655
(1-ethyl-5-methyl-1H-pyrazol-4-yl)methanamine
CID 7022221
((1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl)(methyl)amine
CID 7175814
2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]butanamide
CID 19290567
N-[(2-ethylpyrazol-3-yl)methyl]cyclopropanecarboxamide
CID 19294477
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]cyclohexanecarboxamide
CID 19469143

Frequently Asked Questions

What is the IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide?
The IUPAC name of N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide (CID 19282106) is N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide.
What is the SMILES notation for N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide?
The canonical SMILES for N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide is CCCC(=O)NCc1cnn(C)c1C.
What is the InChIKey of N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide?
The InChIKey is MIZFTOGCSFOCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-4-5-10(14)11-6-9-7-12-13(3)8(9)2/h7H,4-6H2,1-3H3,(H,11,14).
What are the key properties of N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide?
N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide has a molecular weight of 195.27 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide is sourced from PubChem (CID 19282106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).