3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide

C10H18N4O — CID 80682637

IUPAC3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
SMILESCNCCC(=O)NCCc1cnn(C)c1
InChIInChI=1S/C10H18N4O/c1-11-5-4-10(15)12-6-3-9-7-13-14(2)8-9/h7-8,11H,3-6H2,1-2H3,(H,12,15)
InChIKeyZIGVWHJOYVMSJR-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.31
Rot. Bonds6

About 3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide

3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide (PubChem CID 80682637) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
PubChem CID80682637
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
SMILESCNCCC(=O)NCCc1cnn(C)c1
InChIInChI=1S/C10H18N4O/c1-11-5-4-10(15)12-6-3-9-7-13-14(2)8-9/h7-8,11H,3-6H2,1-2H3,(H,12,15)
InChIKeyZIGVWHJOYVMSJR-UHFFFAOYSA-N
XLogP-0.31
TPSA58.95 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 ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylpyrazol-4-yl)ethyl]-4-oxopentanamide
CID 80682207
3-(tert-butylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 80682189
4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 80686901
2-chloro-N-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]acetamide
CID 80688704
5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentanamide
CID 80683229
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
CID 47239068
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(propan-2-ylamino)butanamide
CID 80683092
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107032863
N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenoxypropanamide
CID 47352395
5-[3-(1-methylpyrazol-4-yl)propanoylamino]pentanoic acid
CID 119234671
2-(4-methylphenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 47045575
2-(2-hydroxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 78990918

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide (CID 80682637) is 3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide is CNCCC(=O)NCCc1cnn(C)c1.
What is the InChIKey of 3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide?
The InChIKey is ZIGVWHJOYVMSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-11-5-4-10(15)12-6-3-9-7-13-14(2)8-9/h7-8,11H,3-6H2,1-2H3,(H,12,15).
What are the key properties of 3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide?
3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide has a molecular weight of 210.28 g/mol, XLogP of -0.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 80682637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).