N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide

C11H19N3O — CID 42352342

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide
SMILESCCCCC(=O)NCc1cn(C)nc1C
InChIInChI=1S/C11H19N3O/c1-4-5-6-11(15)12-7-10-8-14(3)13-9(10)2/h8H,4-7H2,1-3H3,(H,12,15)
InChIKeyNUADVKGJWCUCOF-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.53
Rot. Bonds5

About N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide (PubChem CID 42352342) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide
PubChem CID42352342
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide
SMILESCCCCC(=O)NCc1cn(C)nc1C
InChIInChI=1S/C11H19N3O/c1-4-5-6-11(15)12-7-10-8-14(3)13-9(10)2/h8H,4-7H2,1-3H3,(H,12,15)
InChIKeyNUADVKGJWCUCOF-UHFFFAOYSA-N
XLogP1.53
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 ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-5-hydroxypentanamide
CID 112672114
5-chloro-N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide
CID 112668674
N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide;ethane
CID 142558548
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 19288393
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-(5-methylpyrazol-1-yl)propanamide
CID 19569842
2-(2-aminophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide
CID 112668170
5-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-5-oxopentanoic acid
CID 112668369
2-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]butanamide
CID 112668685
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-phenoxyacetamide
CID 42352426
N-[(1,3-dimethylpyrazol-4-yl)methyl]decan-1-amine
CID 83089811
4-[(1,3-dimethylpyrazol-4-yl)methylamino]butanoic acid
CID 83088801
2-(aminomethyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]butanamide
CID 112668706

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide (CID 42352342) is N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide is CCCCC(=O)NCc1cn(C)nc1C.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide?
The InChIKey is NUADVKGJWCUCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-5-6-11(15)12-7-10-8-14(3)13-9(10)2/h8H,4-7H2,1-3H3,(H,12,15).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide has a molecular weight of 209.29 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]pentanamide is sourced from PubChem (CID 42352342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).