N-[(1-propan-2-ylpyrazol-3-yl)methyl]butanamide

C11H19N3O — CID 171523336

IUPACN-[(1-propan-2-ylpyrazol-3-yl)methyl]butanamide
SMILESCCCC(=O)NCc1ccn(C(C)C)n1
InChIInChI=1S/C11H19N3O/c1-4-5-11(15)12-8-10-6-7-14(13-10)9(2)3/h6-7,9H,4-5,8H2,1-3H3,(H,12,15)
InChIKeyXYABXBRZEUQGPE-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.88
Rot. Bonds5

About N-[(1-propan-2-ylpyrazol-3-yl)methyl]butanamide

N-[(1-propan-2-ylpyrazol-3-yl)methyl]butanamide (PubChem CID 171523336) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(1-propan-2-ylpyrazol-3-yl)methyl]butanamide.

Molecular Properties

Compound NameN-[(1-propan-2-ylpyrazol-3-yl)methyl]butanamide
PubChem CID171523336
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[(1-propan-2-ylpyrazol-3-yl)methyl]butanamide
SMILESCCCC(=O)NCc1ccn(C(C)C)n1
InChIInChI=1S/C11H19N3O/c1-4-5-11(15)12-8-10-6-7-14(13-10)9(2)3/h6-7,9H,4-5,8H2,1-3H3,(H,12,15)
InChIKeyXYABXBRZEUQGPE-UHFFFAOYSA-N
XLogP1.88
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-2-[(1-propan-2-ylpyrazol-3-yl)methylcarbamoylamino]butanoic acid
CID 64771433
N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentan-2-amine
CID 64771079
1-(1-propan-2-ylpyrazol-3-yl)undecan-2-one
CID 114975653
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(1-propan-2-ylpyrazol-3-yl)acetamide
CID 95782008
2-chloro-N-[[1-(difluoromethyl)pyrazol-3-yl]methyl]acetamide
CID 166429258
2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentanoic acid
CID 64772577
2-amino-3-(1-propan-2-ylpyrazol-3-yl)propanoic acid
CID 64772542
2-phenyl-2-[(1-propan-2-ylpyrazol-3-yl)methylamino]acetic acid
CID 64772221
N-[(1-propan-2-ylpyrazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 146089000
4-(2-aminoethyl)-5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexanamide
CID 82872970
5-methyl-1-(1-propan-2-ylpyrazol-3-yl)hexan-2-one
CID 64771535
3-ethoxy-3-oxo-2-[(1-propan-2-ylpyrazol-3-yl)methyl]propanoic acid
CID 103973541

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpyrazol-3-yl)methyl]butanamide?
The IUPAC name of N-[(1-propan-2-ylpyrazol-3-yl)methyl]butanamide (CID 171523336) is N-[(1-propan-2-ylpyrazol-3-yl)methyl]butanamide.
What is the SMILES notation for N-[(1-propan-2-ylpyrazol-3-yl)methyl]butanamide?
The canonical SMILES for N-[(1-propan-2-ylpyrazol-3-yl)methyl]butanamide is CCCC(=O)NCc1ccn(C(C)C)n1.
What is the InChIKey of N-[(1-propan-2-ylpyrazol-3-yl)methyl]butanamide?
The InChIKey is XYABXBRZEUQGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-5-11(15)12-8-10-6-7-14(13-10)9(2)3/h6-7,9H,4-5,8H2,1-3H3,(H,12,15).
What are the key properties of N-[(1-propan-2-ylpyrazol-3-yl)methyl]butanamide?
N-[(1-propan-2-ylpyrazol-3-yl)methyl]butanamide has a molecular weight of 209.29 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpyrazol-3-yl)methyl]butanamide is sourced from PubChem (CID 171523336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).