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

C13H23N3O2 — CID 124863305

IUPACN-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC[C@H](C)[C@H](CO)NC(=O)c1cc(C(C)C)[nH]n1
InChIInChI=1S/C13H23N3O2/c1-5-9(4)12(7-17)14-13(18)11-6-10(8(2)3)15-16-11/h6,8-9,12,17H,5,7H2,1-4H3,(H,14,18)(H,15,16)/t9-,12-/m0/s1
InChIKeyRJOLKCUEKZNUBR-CABZTGNLSA-N
MW253.35 g/mol
LogP1.67
Rot. Bonds6

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

N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 124863305) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID124863305
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC[C@H](C)[C@H](CO)NC(=O)c1cc(C(C)C)[nH]n1
InChIInChI=1S/C13H23N3O2/c1-5-9(4)12(7-17)14-13(18)11-6-10(8(2)3)15-16-11/h6,8-9,12,17H,5,7H2,1-4H3,(H,14,18)(H,15,16)/t9-,12-/m0/s1
InChIKeyRJOLKCUEKZNUBR-CABZTGNLSA-N
XLogP1.67
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 124863305) is N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC[C@H](C)[C@H](CO)NC(=O)c1cc(C(C)C)[nH]n1.
What is the InChIKey of N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is RJOLKCUEKZNUBR-CABZTGNLSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-5-9(4)12(7-17)14-13(18)11-6-10(8(2)3)15-16-11/h6,8-9,12,17H,5,7H2,1-4H3,(H,14,18)(H,15,16)/t9-,12-/m0/s1.
What are the key properties of N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide?
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 1.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 124863305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).