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

C10H18N4O — CID 106047441

IUPAC4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide
SMILESCc1c(CNC(=O)CCCN)cnn1C
InChIInChI=1S/C10H18N4O/c1-8-9(7-13-14(8)2)6-12-10(15)4-3-5-11/h7H,3-6,11H2,1-2H3,(H,12,15)
InChIKeyGWUHRTCJEZZJDQ-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.08
Rot. Bonds5

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

4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide (PubChem CID 106047441) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide
PubChem CID106047441
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide
SMILESCc1c(CNC(=O)CCCN)cnn1C
InChIInChI=1S/C10H18N4O/c1-8-9(7-13-14(8)2)6-12-10(15)4-3-5-11/h7H,3-6,11H2,1-2H3,(H,12,15)
InChIKeyGWUHRTCJEZZJDQ-UHFFFAOYSA-N
XLogP0.08
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]pentanamide
CID 106033595
6-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-ethylhexanamide
CID 106047363
N-(2-aminoethyl)-N'-[(1,5-dimethylpyrazol-4-yl)methyl]oxamide
CID 106033656
3-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-hydroxyiminopropanamide
CID 106041077
1-(3-aminopropyl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-5-methylpyrazole-4-carboxamide
CID 106033658
3-(4-bromopyrazol-1-yl)-N-[(1,5-dimethylpyrazol-4-yl)methyl]propanamide
CID 19561684
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-methylpyrazol-1-yl)propanamide
CID 19555756
1-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19622573
N-[(1,5-dimethylpyrazol-4-yl)methyl]prop-2-enamide
CID 106033545
2-[3-[(1,5-dimethylpyrazol-4-yl)methylamino]-3-oxopropyl]pyrazole-3-carboxylic acid
CID 19492095
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-methyl-2-sulfanylbutanamide
CID 106040607
2-[(1,5-dimethylpyrazol-4-yl)methylamino]ethylurea
CID 83110053

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide?
The IUPAC name of 4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide (CID 106047441) is 4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide.
What is the SMILES notation for 4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide?
The canonical SMILES for 4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide is Cc1c(CNC(=O)CCCN)cnn1C.
What is the InChIKey of 4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide?
The InChIKey is GWUHRTCJEZZJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8-9(7-13-14(8)2)6-12-10(15)4-3-5-11/h7H,3-6,11H2,1-2H3,(H,12,15).
What are the key properties of 4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide?
4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide has a molecular weight of 210.28 g/mol, XLogP of 0.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide is sourced from PubChem (CID 106047441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).