(2R)-2-amino-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4,4-dimethylpentanamide

C13H24N4O — CID 90647268

IUPAC(2R)-2-amino-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4,4-dimethylpentanamide
SMILESCc1n[nH]c(C)c1CNC(=O)[C@H](N)CC(C)(C)C
InChIInChI=1S/C13H24N4O/c1-8-10(9(2)17-16-8)7-15-12(18)11(14)6-13(3,4)5/h11H,6-7,14H2,1-5H3,(H,15,18)(H,16,17)/t11-/m1/s1
InChIKeyHENZUUAIZVRSSQ-LLVKDONJSA-N
MW252.36 g/mol
LogP1.41
Rot. Bonds4

About (2R)-2-amino-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4,4-dimethylpentanamide

(2R)-2-amino-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4,4-dimethylpentanamide (PubChem CID 90647268) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is (2R)-2-amino-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4,4-dimethylpentanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4,4-dimethylpentanamide
PubChem CID90647268
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name(2R)-2-amino-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4,4-dimethylpentanamide
SMILESCc1n[nH]c(C)c1CNC(=O)[C@H](N)CC(C)(C)C
InChIInChI=1S/C13H24N4O/c1-8-10(9(2)17-16-8)7-15-12(18)11(14)6-13(3,4)5/h11H,6-7,14H2,1-5H3,(H,15,18)(H,16,17)/t11-/m1/s1
InChIKeyHENZUUAIZVRSSQ-LLVKDONJSA-N
XLogP1.41
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4,4-dimethylpentanamide?
The IUPAC name of (2R)-2-amino-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4,4-dimethylpentanamide (CID 90647268) is (2R)-2-amino-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4,4-dimethylpentanamide.
What is the SMILES notation for (2R)-2-amino-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4,4-dimethylpentanamide?
The canonical SMILES for (2R)-2-amino-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4,4-dimethylpentanamide is Cc1n[nH]c(C)c1CNC(=O)[C@H](N)CC(C)(C)C.
What is the InChIKey of (2R)-2-amino-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4,4-dimethylpentanamide?
The InChIKey is HENZUUAIZVRSSQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H24N4O/c1-8-10(9(2)17-16-8)7-15-12(18)11(14)6-13(3,4)5/h11H,6-7,14H2,1-5H3,(H,15,18)(H,16,17)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4,4-dimethylpentanamide?
(2R)-2-amino-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4,4-dimethylpentanamide has a molecular weight of 252.36 g/mol, XLogP of 1.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 90647268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).