3-[2-(4-methylpyrazol-1-yl)ethylamino]butanamide

C10H18N4O — CID 71924626

IUPAC3-[2-(4-methylpyrazol-1-yl)ethylamino]butanamide
SMILESCc1cnn(CCNC(C)CC(N)=O)c1
InChIInChI=1S/C10H18N4O/c1-8-6-13-14(7-8)4-3-12-9(2)5-10(11)15/h6-7,9,12H,3-5H2,1-2H3,(H2,11,15)
InChIKeyPMXDSEVWXFXDOX-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.05
Rot. Bonds6

About 3-[2-(4-methylpyrazol-1-yl)ethylamino]butanamide

3-[2-(4-methylpyrazol-1-yl)ethylamino]butanamide (PubChem CID 71924626) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-[2-(4-methylpyrazol-1-yl)ethylamino]butanamide.

Molecular Properties

Compound Name3-[2-(4-methylpyrazol-1-yl)ethylamino]butanamide
PubChem CID71924626
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-[2-(4-methylpyrazol-1-yl)ethylamino]butanamide
SMILESCc1cnn(CCNC(C)CC(N)=O)c1
InChIInChI=1S/C10H18N4O/c1-8-6-13-14(7-8)4-3-12-9(2)5-10(11)15/h6-7,9,12H,3-5H2,1-2H3,(H2,11,15)
InChIKeyPMXDSEVWXFXDOX-UHFFFAOYSA-N
XLogP0.05
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2,2-dimethylpropyl)-3-oxo-2-piperazinyl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 16190577
2-ethyl-N-[(1-ethylpyrazol-4-yl)methyl]butanamide
CID 19290567
N-[(1-ethylpyrazol-4-yl)methyl]-3-methylbutanamide
CID 35276265
N-[(1-ethylpyrazol-4-yl)methyl]-2-methylpropanamide
CID 39891826
N-(2-methylpropyl)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]acetamide
CID 56780732
N-cyclopropyl-2-[1-(3-methylbutyl)-3-oxo-2-piperazinyl]-N-[(1-methyl-1H-pyrazol-4-yl)methyl]acetamide
CID 56881515
[(1-ethyl-1H-pyrazol-4-yl)methyl](propan-2-yl)amine
CID 28063596
3-(4-methyl-1H-pyrazol-1-yl)butan-2-amine
CID 54592650
(2S)-2-methyl-1-(1-methyl-1H-pyrazole-4-carbonyl)piperazine dihydrochloride
CID 170913622
1-tert-butyl-N-[3-(4-methyl-1H-pyrazol-1-yl)propyl]-5-oxo-3-pyrrolidinecarboxamide
CID 70731216
N-{(3S,4R)-4-[(dimethylamino)methyl]-1-methyltetrahydro-1H-pyrrol-3-yl}-1-methyl-1H-pyrazole-4-carboxamide
CID 91922802
N-{4-[(Dimethylamino)methyl]-1-methylpyrrolidin-3-YL}-3-(4-methyl-1H-pyrazol-1-YL)propanamide
CID 91923160

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylpyrazol-1-yl)ethylamino]butanamide?
The IUPAC name of 3-[2-(4-methylpyrazol-1-yl)ethylamino]butanamide (CID 71924626) is 3-[2-(4-methylpyrazol-1-yl)ethylamino]butanamide.
What is the SMILES notation for 3-[2-(4-methylpyrazol-1-yl)ethylamino]butanamide?
The canonical SMILES for 3-[2-(4-methylpyrazol-1-yl)ethylamino]butanamide is Cc1cnn(CCNC(C)CC(N)=O)c1.
What is the InChIKey of 3-[2-(4-methylpyrazol-1-yl)ethylamino]butanamide?
The InChIKey is PMXDSEVWXFXDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-8-6-13-14(7-8)4-3-12-9(2)5-10(11)15/h6-7,9,12H,3-5H2,1-2H3,(H2,11,15).
What are the key properties of 3-[2-(4-methylpyrazol-1-yl)ethylamino]butanamide?
3-[2-(4-methylpyrazol-1-yl)ethylamino]butanamide has a molecular weight of 210.28 g/mol, XLogP of 0.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylpyrazol-1-yl)ethylamino]butanamide is sourced from PubChem (CID 71924626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).