N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

C12H21N3O2 — CID 91639549

IUPACN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@H](CO)C(C)C)n[nH]1
InChIInChI=1S/C12H21N3O2/c1-7(2)9-5-10(15-14-9)12(17)13-11(6-16)8(3)4/h5,7-8,11,16H,6H2,1-4H3,(H,13,17)(H,14,15)/t11-/m1/s1
InChIKeyXCJRKEYZTMKRMT-LLVKDONJSA-N
MW239.32 g/mol
LogP1.28
Rot. Bonds5

About N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide

N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 91639549) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID91639549
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)N[C@H](CO)C(C)C)n[nH]1
InChIInChI=1S/C12H21N3O2/c1-7(2)9-5-10(15-14-9)12(17)13-11(6-16)8(3)4/h5,7-8,11,16H,6H2,1-4H3,(H,13,17)(H,14,15)/t11-/m1/s1
InChIKeyXCJRKEYZTMKRMT-LLVKDONJSA-N
XLogP1.28
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 124863305
5-(furan-2-yl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide
CID 124848185
N-(2-amino-1-cyclopropylethyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 119613012
3-(4-bromophenyl)-3-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]propanoic acid
CID 119188731
N-(1-anilino-1-oxopropan-2-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56787958
N-(3-methoxypropyl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47213767
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide
CID 79252748
(2S)-4-methyl-2-[[2-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]acetyl]amino]pentanoic acid
CID 120695591
2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(5-propan-2-yl-1H-pyrazole-3-carbonyl)amino]acetic acid
CID 50952889
5-cyclopropyl-N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-1,2-oxazole-3-carboxamide
CID 79252020
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-5-(3-methylbutyl)-1H-pyrazole-3-carboxamide
CID 124864238
N-[(4-chlorophenyl)methyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 47244745

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 91639549) is N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC(C)c1cc(C(=O)N[C@H](CO)C(C)C)n[nH]1.
What is the InChIKey of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is XCJRKEYZTMKRMT-LLVKDONJSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-7(2)9-5-10(15-14-9)12(17)13-11(6-16)8(3)4/h5,7-8,11,16H,6H2,1-4H3,(H,13,17)(H,14,15)/t11-/m1/s1.
What are the key properties of N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91639549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).