N-butyl-N-(2-hydroxyethyl)-2,5-dimethylpyrazole-3-carboxamide

C12H21N3O2 — CID 61059239

IUPACN-butyl-N-(2-hydroxyethyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCCCCN(CCO)C(=O)c1cc(C)nn1C
InChIInChI=1S/C12H21N3O2/c1-4-5-6-15(7-8-16)12(17)11-9-10(2)13-14(11)3/h9,16H,4-8H2,1-3H3
InChIKeyBWZIKKMCDXUMFU-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.96
Rot. Bonds6

About N-butyl-N-(2-hydroxyethyl)-2,5-dimethylpyrazole-3-carboxamide

N-butyl-N-(2-hydroxyethyl)-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 61059239) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-butyl-N-(2-hydroxyethyl)-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-butyl-N-(2-hydroxyethyl)-2,5-dimethylpyrazole-3-carboxamide
PubChem CID61059239
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-butyl-N-(2-hydroxyethyl)-2,5-dimethylpyrazole-3-carboxamide
SMILESCCCCN(CCO)C(=O)c1cc(C)nn1C
InChIInChI=1S/C12H21N3O2/c1-4-5-6-15(7-8-16)12(17)11-9-10(2)13-14(11)3/h9,16H,4-8H2,1-3H3
InChIKeyBWZIKKMCDXUMFU-UHFFFAOYSA-N
XLogP0.96
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-ethyl-N-(2-hydroxyethyl)-5-methylpyrazole-3-carboxamide
CID 66120277
3-ethyl-N,N-bis(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide
CID 66122498
N-butyl-N-(2-chloroethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119787
N-butyl-N-(2-hydroxyethyl)-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 61447846
N-butyl-4-chloro-N-(2-hydroxyethyl)-1-propylpyrrole-2-carboxamide
CID 61448259
4-amino-N-butyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide
CID 65359533
N-butyl-N-(2-hydroxyethyl)-2-methylpyridine-4-carboxamide
CID 106753379
N-(1-chloropropan-2-yl)-N,2,5-trimethylpyrazole-3-carboxamide
CID 104555901
4-amino-N,N-dibutyl-1-methylpyrrole-2-carboxamide
CID 43643260
N-(1-aminopropan-2-yl)-N,2,5-trimethylpyrazole-3-carboxamide;hydrochloride
CID 119583908
N-butyl-N-(2-hydroxyethyl)-3-methylimidazo[4,5-b]pyridine-6-carboxamide
CID 110015222
4-bromo-N-hexyl-N-(2-hydroxyethyl)-1-methylpyrrole-2-carboxamide
CID 54878088

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-(2-hydroxyethyl)-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-butyl-N-(2-hydroxyethyl)-2,5-dimethylpyrazole-3-carboxamide (CID 61059239) is N-butyl-N-(2-hydroxyethyl)-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-butyl-N-(2-hydroxyethyl)-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-butyl-N-(2-hydroxyethyl)-2,5-dimethylpyrazole-3-carboxamide is CCCCN(CCO)C(=O)c1cc(C)nn1C.
What is the InChIKey of N-butyl-N-(2-hydroxyethyl)-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is BWZIKKMCDXUMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-4-5-6-15(7-8-16)12(17)11-9-10(2)13-14(11)3/h9,16H,4-8H2,1-3H3.
What are the key properties of N-butyl-N-(2-hydroxyethyl)-2,5-dimethylpyrazole-3-carboxamide?
N-butyl-N-(2-hydroxyethyl)-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 239.32 g/mol, XLogP of 0.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-(2-hydroxyethyl)-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 61059239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).