2-(cyclopropylamino)-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylpentanamide

C16H28N4O — CID 64705468

IUPAC2-(cyclopropylamino)-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylpentanamide
SMILESCCc1c(C)nn(C(C)CC(C)(NC2CC2)C(N)=O)c1C
InChIInChI=1S/C16H28N4O/c1-6-14-11(3)19-20(12(14)4)10(2)9-16(5,15(17)21)18-13-7-8-13/h10,13,18H,6-9H2,1-5H3,(H2,17,21)
InChIKeyGCQDTQMYXRISHM-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.01
Rot. Bonds7

About 2-(cyclopropylamino)-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylpentanamide

2-(cyclopropylamino)-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylpentanamide (PubChem CID 64705468) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylpentanamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylpentanamide
PubChem CID64705468
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name2-(cyclopropylamino)-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylpentanamide
SMILESCCc1c(C)nn(C(C)CC(C)(NC2CC2)C(N)=O)c1C
InChIInChI=1S/C16H28N4O/c1-6-14-11(3)19-20(12(14)4)10(2)9-16(5,15(17)21)18-13-7-8-13/h10,13,18H,6-9H2,1-5H3,(H2,17,21)
InChIKeyGCQDTQMYXRISHM-UHFFFAOYSA-N
XLogP2.01
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanoic acid
CID 64705630
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(cyclopropylamino)-2-methylpentanoic acid
CID 64708762
2-(cyclopropylamino)-4-(4-ethyl-4-methylpiperidin-1-yl)-2-methylpentanamide
CID 64704169
4-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-(cyclopropylamino)-2-methylpentanamide
CID 115561436
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentan-2-one
CID 64697316
2-(cyclopropylamino)-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-methylpentanamide
CID 104960286
4-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-(cyclopropylamino)-2-methylpentanamide
CID 65324875
2-amino-2-methyl-4-(3,4,5-trimethylpyrazol-1-yl)pentanamide
CID 64705465
2-(cyclopropylamino)-4-[cyclopropylmethyl(ethyl)amino]-2-methylpentanamide
CID 64702637
2-(cyclopropylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylpentanamide
CID 64711790
2-(cyclopropylamino)-4-(4,5-dimethylimidazol-1-yl)-2-methylbutanamide
CID 62350813
2-(cyclopropylamino)-4-(3,3-dimethylpiperidin-1-yl)-2-methylpentanamide
CID 64703050

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylpentanamide?
The IUPAC name of 2-(cyclopropylamino)-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylpentanamide (CID 64705468) is 2-(cyclopropylamino)-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylpentanamide.
What is the SMILES notation for 2-(cyclopropylamino)-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylpentanamide?
The canonical SMILES for 2-(cyclopropylamino)-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylpentanamide is CCc1c(C)nn(C(C)CC(C)(NC2CC2)C(N)=O)c1C.
What is the InChIKey of 2-(cyclopropylamino)-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylpentanamide?
The InChIKey is GCQDTQMYXRISHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-6-14-11(3)19-20(12(14)4)10(2)9-16(5,15(17)21)18-13-7-8-13/h10,13,18H,6-9H2,1-5H3,(H2,17,21).
What are the key properties of 2-(cyclopropylamino)-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylpentanamide?
2-(cyclopropylamino)-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylpentanamide has a molecular weight of 292.43 g/mol, XLogP of 2.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-methylpentanamide is sourced from PubChem (CID 64705468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).