N-(3-hydroxy-4-methylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

C14H25N3O2 — CID 111560633

IUPACN-(3-hydroxy-4-methylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCCC(O)C(C)C)n(C)n1
InChIInChI=1S/C14H25N3O2/c1-9(2)11-8-12(17(5)16-11)14(19)15-7-6-13(18)10(3)4/h8-10,13,18H,6-7H2,1-5H3,(H,15,19)
InChIKeyBIRVMLQHTHHTFU-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.68
Rot. Bonds6

About N-(3-hydroxy-4-methylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide

N-(3-hydroxy-4-methylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 111560633) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-(3-hydroxy-4-methylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxy-4-methylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID111560633
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-(3-hydroxy-4-methylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCC(C)c1cc(C(=O)NCCC(O)C(C)C)n(C)n1
InChIInChI=1S/C14H25N3O2/c1-9(2)11-8-12(17(5)16-11)14(19)15-7-6-13(18)10(3)4/h8-10,13,18H,6-7H2,1-5H3,(H,15,19)
InChIKeyBIRVMLQHTHHTFU-UHFFFAOYSA-N
XLogP1.68
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxy-3-methylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 71917281
N-[(2S,3R)-2-hydroxy-3-methylpentyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 97095637
4,5-dichloro-N-(3-hydroxy-4-methylpentyl)-1-methylpyrrole-2-carboxamide
CID 111460726
1-methyl-N-(2-morpholin-4-ylethyl)-3-propan-2-ylpyrazole-5-carboxamide
CID 70761922
1-methyl-3-propan-2-yl-N-[2-(1,2,4-triazol-1-yl)propyl]pyrazole-5-carboxamide
CID 110226023
1-methyl-3-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazole-5-carboxamide
CID 171682397
N-(2-hydroxy-2-propylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111560546
N-[2-(4-fluorophenyl)-2-hydroxyethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111565394
1-(1-methyl-3-propan-2-ylpyrazol-5-yl)ethanone
CID 82376195
1-methyl-N-[3-(4-methyl-1,3-thiazol-5-yl)propyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 70707512
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-1-methyl-3-propan-2-ylpyrazole-5-carboxamide
CID 111565456
methyl 1-methyl-3-propan-2-ylpyrazole-5-carboxylate
CID 25248219

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxy-4-methylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-(3-hydroxy-4-methylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide (CID 111560633) is N-(3-hydroxy-4-methylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-(3-hydroxy-4-methylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-(3-hydroxy-4-methylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is CC(C)c1cc(C(=O)NCCC(O)C(C)C)n(C)n1.
What is the InChIKey of N-(3-hydroxy-4-methylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is BIRVMLQHTHHTFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-9(2)11-8-12(17(5)16-11)14(19)15-7-6-13(18)10(3)4/h8-10,13,18H,6-7H2,1-5H3,(H,15,19).
What are the key properties of N-(3-hydroxy-4-methylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide?
N-(3-hydroxy-4-methylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 267.37 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxy-4-methylpentyl)-1-methyl-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 111560633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).