N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-pyrazol-1-ylbutanamide

C16H25N5O — CID 46993773

IUPACN-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-pyrazol-1-ylbutanamide
SMILESCCC(CC)n1nc(C)cc1NC(=O)CC(C)n1cccn1
InChIInChI=1S/C16H25N5O/c1-5-14(6-2)21-15(10-12(3)19-21)18-16(22)11-13(4)20-9-7-8-17-20/h7-10,13-14H,5-6,11H2,1-4H3,(H,18,22)
InChIKeyCVKLYSRRMAVPBD-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.34
Rot. Bonds7

About N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-pyrazol-1-ylbutanamide

N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-pyrazol-1-ylbutanamide (PubChem CID 46993773) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-pyrazol-1-ylbutanamide.

Molecular Properties

Compound NameN-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-pyrazol-1-ylbutanamide
PubChem CID46993773
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC NameN-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-pyrazol-1-ylbutanamide
SMILESCCC(CC)n1nc(C)cc1NC(=O)CC(C)n1cccn1
InChIInChI=1S/C16H25N5O/c1-5-14(6-2)21-15(10-12(3)19-21)18-16(22)11-13(4)20-9-7-8-17-20/h7-10,13-14H,5-6,11H2,1-4H3,(H,18,22)
InChIKeyCVKLYSRRMAVPBD-UHFFFAOYSA-N
XLogP3.34
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 24794189
N-(2,5-dimethylpyrazol-3-yl)-2-pyrazol-1-ylpropanamide
CID 45885693
N-(2,5-dimethylpyrazol-3-yl)-2-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]acetamide
CID 56780491
N-(2,5-dimethylpyrazol-3-yl)-2-[methyl-[(1-pyridazin-3-ylpyrrolidin-2-yl)methyl]amino]acetamide
CID 56802070
1-methyl-N-(1-methyl-1H-pyrazol-3-yl)-1H-pyrazole-5-carboxamide
CID 4768052
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CID 9465345
N-[2-[(1S)-1-cyclopropylethyl]-5-methylpyrazol-3-yl]-2-(triazol-1-yl)acetamide
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N-(2-propan-2-ylpyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
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CID 46997560
1-(2,5-Dimethylpyrazol-3-yl)-3-(1-methylpyrazol-4-yl)urea
CID 47363757
N-(1,5-dimethyl-1H-pyrazol-3-yl)-N~3~-pyrimidin-2-yl-beta-alaninamide
CID 71706273
N-(2,5-dimethylpyrazol-3-yl)-N'-[5-methyl-1-(3-methylbutyl)pyrazol-4-yl]oxamide
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Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-pyrazol-1-ylbutanamide?
The IUPAC name of N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-pyrazol-1-ylbutanamide (CID 46993773) is N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-pyrazol-1-ylbutanamide.
What is the SMILES notation for N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-pyrazol-1-ylbutanamide?
The canonical SMILES for N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-pyrazol-1-ylbutanamide is CCC(CC)n1nc(C)cc1NC(=O)CC(C)n1cccn1.
What is the InChIKey of N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-pyrazol-1-ylbutanamide?
The InChIKey is CVKLYSRRMAVPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c1-5-14(6-2)21-15(10-12(3)19-21)18-16(22)11-13(4)20-9-7-8-17-20/h7-10,13-14H,5-6,11H2,1-4H3,(H,18,22).
What are the key properties of N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-pyrazol-1-ylbutanamide?
N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-pyrazol-1-ylbutanamide has a molecular weight of 303.41 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)-3-pyrazol-1-ylbutanamide is sourced from PubChem (CID 46993773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).