4-(4-chloropyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanamide

C12H21ClN4O — CID 64705270

IUPAC4-(4-chloropyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanamide
SMILESCC(C)NC(C)(CC(C)n1cc(Cl)cn1)C(N)=O
InChIInChI=1S/C12H21ClN4O/c1-8(2)16-12(4,11(14)18)5-9(3)17-7-10(13)6-15-17/h6-9,16H,5H2,1-4H3,(H2,14,18)
InChIKeyXAYGVHDPPBOJDQ-UHFFFAOYSA-N
MW272.78 g/mol
LogP1.73
Rot. Bonds6

About 4-(4-chloropyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanamide

4-(4-chloropyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanamide (PubChem CID 64705270) has the molecular formula C12H21ClN4O and a molecular weight of 272.78 g/mol. Its IUPAC name is 4-(4-chloropyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanamide.

Molecular Properties

Compound Name4-(4-chloropyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanamide
PubChem CID64705270
Molecular FormulaC12H21ClN4O
Molecular Weight272.78 g/mol
Exact Mass272.14
IUPAC Name4-(4-chloropyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanamide
SMILESCC(C)NC(C)(CC(C)n1cc(Cl)cn1)C(N)=O
InChIInChI=1S/C12H21ClN4O/c1-8(2)16-12(4,11(14)18)5-9(3)17-7-10(13)6-15-17/h6-9,16H,5H2,1-4H3,(H2,14,18)
InChIKeyXAYGVHDPPBOJDQ-UHFFFAOYSA-N
XLogP1.73
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloropyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanamide?
The IUPAC name of 4-(4-chloropyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanamide (CID 64705270) is 4-(4-chloropyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanamide.
What is the SMILES notation for 4-(4-chloropyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanamide?
The canonical SMILES for 4-(4-chloropyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanamide is CC(C)NC(C)(CC(C)n1cc(Cl)cn1)C(N)=O.
What is the InChIKey of 4-(4-chloropyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanamide?
The InChIKey is XAYGVHDPPBOJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O/c1-8(2)16-12(4,11(14)18)5-9(3)17-7-10(13)6-15-17/h6-9,16H,5H2,1-4H3,(H2,14,18).
What are the key properties of 4-(4-chloropyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanamide?
4-(4-chloropyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanamide has a molecular weight of 272.78 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloropyrazol-1-yl)-2-methyl-2-(propan-2-ylamino)pentanamide is sourced from PubChem (CID 64705270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).