N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methyl-1H-pyrazole-4-carboxamide

C12H21N3O2 — CID 103843692

IUPACN-[2-ethyl-2-(hydroxymethyl)butyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCCC(CC)(CO)CNC(=O)c1cn[nH]c1C
InChIInChI=1S/C12H21N3O2/c1-4-12(5-2,8-16)7-13-11(17)10-6-14-15-9(10)3/h6,16H,4-5,7-8H2,1-3H3,(H,13,17)(H,14,15)
InChIKeyFVPNNVANMSYSLH-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.25
Rot. Bonds6

About N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methyl-1H-pyrazole-4-carboxamide

N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methyl-1H-pyrazole-4-carboxamide (PubChem CID 103843692) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-ethyl-2-(hydroxymethyl)butyl]-5-methyl-1H-pyrazole-4-carboxamide
PubChem CID103843692
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[2-ethyl-2-(hydroxymethyl)butyl]-5-methyl-1H-pyrazole-4-carboxamide
SMILESCCC(CC)(CO)CNC(=O)c1cn[nH]c1C
InChIInChI=1S/C12H21N3O2/c1-4-12(5-2,8-16)7-13-11(17)10-6-14-15-9(10)3/h6,16H,4-5,7-8H2,1-3H3,(H,13,17)(H,14,15)
InChIKeyFVPNNVANMSYSLH-UHFFFAOYSA-N
XLogP1.25
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 65110977
N-(2-hydroxy-2-methylpentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 103712960
2-hydroxy-2-methyl-3-[(5-methyl-1H-pyrazole-4-carbonyl)amino]propanoic acid
CID 66174183
N-(4-bromo-2,2-dimethylbutyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 106143708
2-[[(5-methyl-1H-pyrazole-4-carbonyl)amino]methyl]butanoic acid
CID 65218133
N-[2-ethyl-2-(hydroxymethyl)butyl]-1H-indazole-6-carboxamide
CID 106251304
2-ethyl-2-[(5-methyl-1H-pyrazole-4-carbonyl)amino]butanoic acid
CID 79806199
N-(5-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107318827
N-(2,2-difluoroethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 79080022
N-[3-(chloromethyl)pentan-3-yl]-5-methyl-1H-pyrazole-4-carboxamide
CID 114304671
N-(4-hydroxypentyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107300381
N-[2-ethyl-2-(hydroxymethyl)butyl]-3-fluoropyridine-4-carboxamide
CID 113331537

Frequently Asked Questions

What is the IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methyl-1H-pyrazole-4-carboxamide (CID 103843692) is N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methyl-1H-pyrazole-4-carboxamide is CCC(CC)(CO)CNC(=O)c1cn[nH]c1C.
What is the InChIKey of N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is FVPNNVANMSYSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-12(5-2,8-16)7-13-11(17)10-6-14-15-9(10)3/h6,16H,4-5,7-8H2,1-3H3,(H,13,17)(H,14,15).
What are the key properties of N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methyl-1H-pyrazole-4-carboxamide?
N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 1.25, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-ethyl-2-(hydroxymethyl)butyl]-5-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 103843692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).