5-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylpentanamide

C13H24N4O — CID 104683752

IUPAC5-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylpentanamide
SMILESCc1c(C(C)NC(=O)C(C)CCCN)cnn1C
InChIInChI=1S/C13H24N4O/c1-9(6-5-7-14)13(18)16-10(2)12-8-15-17(4)11(12)3/h8-10H,5-7,14H2,1-4H3,(H,16,18)
InChIKeyFGHCHZKHBIEXCI-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.28
Rot. Bonds6

About 5-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylpentanamide

5-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylpentanamide (PubChem CID 104683752) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 5-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylpentanamide.

Molecular Properties

Compound Name5-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylpentanamide
PubChem CID104683752
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name5-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylpentanamide
SMILESCc1c(C(C)NC(=O)C(C)CCCN)cnn1C
InChIInChI=1S/C13H24N4O/c1-9(6-5-7-14)13(18)16-10(2)12-8-15-17(4)11(12)3/h8-10H,5-7,14H2,1-4H3,(H,16,18)
InChIKeyFGHCHZKHBIEXCI-UHFFFAOYSA-N
XLogP1.28
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 43696294
3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbutanamide
CID 113416098
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutanamide;hydrochloride
CID 119293160
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylpentanamide
CID 43696292
2-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 62855381
N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 1247509
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenylacetamide;hydrochloride
CID 119293154
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2H-triazole-4-carboxamide
CID 112733384
5-amino-2-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 106212676
(2S)-N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-phenoxypropanamide
CID 29183103
2-(aminomethyl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 114325728
(3S)-N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methyl-5-phenylpentanamide
CID 94800927

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylpentanamide?
The IUPAC name of 5-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylpentanamide (CID 104683752) is 5-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylpentanamide.
What is the SMILES notation for 5-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylpentanamide?
The canonical SMILES for 5-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylpentanamide is Cc1c(C(C)NC(=O)C(C)CCCN)cnn1C.
What is the InChIKey of 5-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylpentanamide?
The InChIKey is FGHCHZKHBIEXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-9(6-5-7-14)13(18)16-10(2)12-8-15-17(4)11(12)3/h8-10H,5-7,14H2,1-4H3,(H,16,18).
What are the key properties of 5-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylpentanamide?
5-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylpentanamide has a molecular weight of 252.36 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylpentanamide is sourced from PubChem (CID 104683752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).