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

C13H24N4O — CID 80682189

IUPAC3-(tert-butylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
SMILESCn1cc(CCNC(=O)CCNC(C)(C)C)cn1
InChIInChI=1S/C13H24N4O/c1-13(2,3)15-8-6-12(18)14-7-5-11-9-16-17(4)10-11/h9-10,15H,5-8H2,1-4H3,(H,14,18)
InChIKeyJVBZOSSFPSJQLS-UHFFFAOYSA-N
MW252.36 g/mol
LogP0.86
Rot. Bonds6

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

3-(tert-butylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide (PubChem CID 80682189) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-(tert-butylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(tert-butylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
PubChem CID80682189
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-(tert-butylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
SMILESCn1cc(CCNC(=O)CCNC(C)(C)C)cn1
InChIInChI=1S/C13H24N4O/c1-13(2,3)15-8-6-12(18)14-7-5-11-9-16-17(4)10-11/h9-10,15H,5-8H2,1-4H3,(H,14,18)
InChIKeyJVBZOSSFPSJQLS-UHFFFAOYSA-N
XLogP0.86
TPSA58.95 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 ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 80682637
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-oxopentanamide
CID 80682207
4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 80686901
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
3-(tert-butylamino)-N-(1-methylpyrazol-4-yl)propanamide
CID 60849362
2-chloro-N-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]acetamide
CID 80688704
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924536
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-(2-oxopyrrolidin-1-yl)butanamide
CID 91838881
2-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]propanoic acid
CID 80689022
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107032863

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-(tert-butylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide (CID 80682189) is 3-(tert-butylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-(tert-butylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-(tert-butylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide is Cn1cc(CCNC(=O)CCNC(C)(C)C)cn1.
What is the InChIKey of 3-(tert-butylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide?
The InChIKey is JVBZOSSFPSJQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-13(2,3)15-8-6-12(18)14-7-5-11-9-16-17(4)10-11/h9-10,15H,5-8H2,1-4H3,(H,14,18).
What are the key properties of 3-(tert-butylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide?
3-(tert-butylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide has a molecular weight of 252.36 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(tert-butylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 80682189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).