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

C15H27N3O2 — CID 124864238

IUPACN-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-5-(3-methylbutyl)-1H-pyrazole-3-carboxamide
SMILESCC[C@H](C)[C@H](CO)NC(=O)c1cc(CCC(C)C)[nH]n1
InChIInChI=1S/C15H27N3O2/c1-5-11(4)14(9-19)16-15(20)13-8-12(17-18-13)7-6-10(2)3/h8,10-11,14,19H,5-7,9H2,1-4H3,(H,16,20)(H,17,18)/t11-,14-/m0/s1
InChIKeyXEWPJZFLSAIRKA-FZMZJTMJSA-N
MW281.40 g/mol
LogP2.14
Rot. Bonds8

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

N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-5-(3-methylbutyl)-1H-pyrazole-3-carboxamide (PubChem CID 124864238) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-5-(3-methylbutyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-5-(3-methylbutyl)-1H-pyrazole-3-carboxamide
PubChem CID124864238
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC NameN-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-5-(3-methylbutyl)-1H-pyrazole-3-carboxamide
SMILESCC[C@H](C)[C@H](CO)NC(=O)c1cc(CCC(C)C)[nH]n1
InChIInChI=1S/C15H27N3O2/c1-5-11(4)14(9-19)16-15(20)13-8-12(17-18-13)7-6-10(2)3/h8,10-11,14,19H,5-7,9H2,1-4H3,(H,16,20)(H,17,18)/t11-,14-/m0/s1
InChIKeyXEWPJZFLSAIRKA-FZMZJTMJSA-N
XLogP2.14
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.14
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-(3-methylbutyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-5-(3-methylbutyl)-1H-pyrazole-3-carboxamide (CID 124864238) is N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-5-(3-methylbutyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-5-(3-methylbutyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-5-(3-methylbutyl)-1H-pyrazole-3-carboxamide is CC[C@H](C)[C@H](CO)NC(=O)c1cc(CCC(C)C)[nH]n1.
What is the InChIKey of N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-5-(3-methylbutyl)-1H-pyrazole-3-carboxamide?
The InChIKey is XEWPJZFLSAIRKA-FZMZJTMJSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-5-11(4)14(9-19)16-15(20)13-8-12(17-18-13)7-6-10(2)3/h8,10-11,14,19H,5-7,9H2,1-4H3,(H,16,20)(H,17,18)/t11-,14-/m0/s1.
What are the key properties of N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-5-(3-methylbutyl)-1H-pyrazole-3-carboxamide?
N-[(2R,3S)-1-hydroxy-3-methylpentan-2-yl]-5-(3-methylbutyl)-1H-pyrazole-3-carboxamide has a molecular weight of 281.40 g/mol, XLogP of 2.14, 8 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-(3-methylbutyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 124864238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).