(2R)-2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide

C12H20N4O2 — CID 95294416

IUPAC(2R)-2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide
SMILESCC(=O)N[C@H](C)C(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C12H20N4O2/c1-7(13-8(2)17)11(18)14-10-6-9(15-16-10)12(3,4)5/h6-7H,1-5H3,(H,13,17)(H2,14,15,16,18)/t7-/m1/s1
InChIKeyZSPGQPSZLNPDME-SSDOTTSWSA-N
MW252.32 g/mol
LogP1.17
Rot. Bonds3

About (2R)-2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide

(2R)-2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide (PubChem CID 95294416) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is (2R)-2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide
PubChem CID95294416
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name(2R)-2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide
SMILESCC(=O)N[C@H](C)C(=O)Nc1cc(C(C)(C)C)[nH]n1
InChIInChI=1S/C12H20N4O2/c1-7(13-8(2)17)11(18)14-10-6-9(15-16-10)12(3,4)5/h6-7H,1-5H3,(H,13,17)(H2,14,15,16,18)/t7-/m1/s1
InChIKeyZSPGQPSZLNPDME-SSDOTTSWSA-N
XLogP1.17
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(carbamoylamino)propanamide
CID 112686898
2-acetamido-N-(5-methyl-1H-pyrazol-3-yl)propanamide
CID 63819909
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,3-dimethylbutanamide
CID 113235621
2-bromo-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide
CID 82110660
N-(5-tert-butyl-1H-pyrazol-3-yl)-2,2-dichloroacetamide
CID 13477003
(2S)-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-[[(2S)-2-cyclohexyl-2-hydroxyacetyl]amino]propanamide
CID 142992313
benzene;N-(5-tert-butyl-1H-pyrazol-3-yl)-2-(methanesulfonamido)propanamide
CID 68895013
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylbutanamide
CID 104618654
N-[1-[(5-tert-butyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 47067682
3-amino-N-(5-tert-butyl-1H-pyrazol-3-yl)-2-methylpropanamide
CID 104618640
2-(aminomethyl)-N-(5-tert-butyl-1H-pyrazol-3-yl)-3-methylbutanamide
CID 113433621
2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)acetamide
CID 112686897

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide?
The IUPAC name of (2R)-2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide (CID 95294416) is (2R)-2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide is CC(=O)N[C@H](C)C(=O)Nc1cc(C(C)(C)C)[nH]n1.
What is the InChIKey of (2R)-2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide?
The InChIKey is ZSPGQPSZLNPDME-SSDOTTSWSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-7(13-8(2)17)11(18)14-10-6-9(15-16-10)12(3,4)5/h6-7H,1-5H3,(H,13,17)(H2,14,15,16,18)/t7-/m1/s1.
What are the key properties of (2R)-2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide?
(2R)-2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide has a molecular weight of 252.32 g/mol, XLogP of 1.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-N-(5-tert-butyl-1H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 95294416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).