3-[1-(1-methylpyrazol-4-yl)propylamino]butanamide

C11H20N4O — CID 115867794

IUPAC3-[1-(1-methylpyrazol-4-yl)propylamino]butanamide
SMILESCCC(NC(C)CC(N)=O)c1cnn(C)c1
InChIInChI=1S/C11H20N4O/c1-4-10(9-6-13-15(3)7-9)14-8(2)5-11(12)16/h6-8,10,14H,4-5H2,1-3H3,(H2,12,16)
InChIKeyOHPZSGKODPDKJL-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.72
Rot. Bonds6

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

3-[1-(1-methylpyrazol-4-yl)propylamino]butanamide (PubChem CID 115867794) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 3-[1-(1-methylpyrazol-4-yl)propylamino]butanamide.

Molecular Properties

Compound Name3-[1-(1-methylpyrazol-4-yl)propylamino]butanamide
PubChem CID115867794
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name3-[1-(1-methylpyrazol-4-yl)propylamino]butanamide
SMILESCCC(NC(C)CC(N)=O)c1cnn(C)c1
InChIInChI=1S/C11H20N4O/c1-4-10(9-6-13-15(3)7-9)14-8(2)5-11(12)16/h6-8,10,14H,4-5H2,1-3H3,(H2,12,16)
InChIKeyOHPZSGKODPDKJL-UHFFFAOYSA-N
XLogP0.72
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-methylpyrazol-4-yl)propyl]pentan-3-amine
CID 115704994
N-[1-(1-methylpyrazol-4-yl)propyl]but-3-en-2-amine
CID 115727790
methyl 2-(1-methylpyrazol-4-yl)butanoate
CID 62395222
1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
2-(2-methylbutylamino)-2-(1-methylpyrazol-4-yl)ethanol
CID 115888089
3-(methylamino)-3-(1-propylpyrazol-4-yl)propanamide
CID 103573447
(2S)-4-amino-2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]-4-oxobutanoic acid
CID 103870099
ethyl N-[2-amino-1-(1-methylpyrazol-4-yl)ethyl]carbamate
CID 43199855
2-(4-methoxybutan-2-ylamino)-2-(1-methylpyrazol-4-yl)ethanol
CID 115896723
3-(ethylamino)-3-(1-ethylpyrazol-4-yl)propanamide
CID 103570864
2-(butan-2-ylcarbamoylamino)-2-(1-methylpyrazol-4-yl)acetic acid
CID 113279679
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propanoic acid
CID 28600208

Frequently Asked Questions

What is the IUPAC name of 3-[1-(1-methylpyrazol-4-yl)propylamino]butanamide?
The IUPAC name of 3-[1-(1-methylpyrazol-4-yl)propylamino]butanamide (CID 115867794) is 3-[1-(1-methylpyrazol-4-yl)propylamino]butanamide.
What is the SMILES notation for 3-[1-(1-methylpyrazol-4-yl)propylamino]butanamide?
The canonical SMILES for 3-[1-(1-methylpyrazol-4-yl)propylamino]butanamide is CCC(NC(C)CC(N)=O)c1cnn(C)c1.
What is the InChIKey of 3-[1-(1-methylpyrazol-4-yl)propylamino]butanamide?
The InChIKey is OHPZSGKODPDKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-10(9-6-13-15(3)7-9)14-8(2)5-11(12)16/h6-8,10,14H,4-5H2,1-3H3,(H2,12,16).
What are the key properties of 3-[1-(1-methylpyrazol-4-yl)propylamino]butanamide?
3-[1-(1-methylpyrazol-4-yl)propylamino]butanamide has a molecular weight of 224.31 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(1-methylpyrazol-4-yl)propylamino]butanamide is sourced from PubChem (CID 115867794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).