5-butyl-1-(oxolan-3-ylmethyl)pyrazole-3-carboxamide

C13H21N3O2 — CID 141473609

IUPAC5-butyl-1-(oxolan-3-ylmethyl)pyrazole-3-carboxamide
SMILESCCCCc1cc(C(N)=O)nn1CC1CCOC1
InChIInChI=1S/C13H21N3O2/c1-2-3-4-11-7-12(13(14)17)15-16(11)8-10-5-6-18-9-10/h7,10H,2-6,8-9H2,1H3,(H2,14,17)
InChIKeyXTMAUWODHPPZSV-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.36
Rot. Bonds6

About 5-butyl-1-(oxolan-3-ylmethyl)pyrazole-3-carboxamide

5-butyl-1-(oxolan-3-ylmethyl)pyrazole-3-carboxamide (PubChem CID 141473609) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 5-butyl-1-(oxolan-3-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-butyl-1-(oxolan-3-ylmethyl)pyrazole-3-carboxamide
PubChem CID141473609
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name5-butyl-1-(oxolan-3-ylmethyl)pyrazole-3-carboxamide
SMILESCCCCc1cc(C(N)=O)nn1CC1CCOC1
InChIInChI=1S/C13H21N3O2/c1-2-3-4-11-7-12(13(14)17)15-16(11)8-10-5-6-18-9-10/h7,10H,2-6,8-9H2,1H3,(H2,14,17)
InChIKeyXTMAUWODHPPZSV-UHFFFAOYSA-N
XLogP1.36
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-5-(oxan-4-ylmethyl)pyrazole-3-carboxamide
CID 67158103
1-(3-butyl-1-methylpyrazol-5-yl)-3-(oxolan-3-yl)propan-1-one
CID 158752187
5-ethyl-1-propylpyrazole-3-carboxamide
CID 66958288
5-(2-aminoethyl)-1-(oxolan-3-ylmethyl)triazole-4-carboxylic acid
CID 103119018
1-(oxan-4-ylmethyl)pyrazole-3-carboxamide
CID 118365559
5-butyl-2-(oxolan-3-ylmethyl)-1,2-oxazolidine-3-carboxamide
CID 174952094
N-[[3,5-dimethyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]methyl]ethanamine
CID 62731172
2-butyl-6-[4-(oxolan-3-yl)piperazine-1-carbonyl]pyridazin-3-one
CID 71852925
methyl 1-[[(3R)-oxolan-3-yl]methyl]triazole-4-carboxylate
CID 129412512
2-(oxan-4-ylmethyl)pyrazole-3-carboxamide
CID 90104813
3,5-diethyl-1-(oxolan-3-ylmethyl)-1,2,4-triazole
CID 71974204
2-[5-[[(3S)-oxolan-3-yl]methyl]-1-propyl-1,2,4-triazol-3-yl]acetamide
CID 97455270

Frequently Asked Questions

What is the IUPAC name of 5-butyl-1-(oxolan-3-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of 5-butyl-1-(oxolan-3-ylmethyl)pyrazole-3-carboxamide (CID 141473609) is 5-butyl-1-(oxolan-3-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-butyl-1-(oxolan-3-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-butyl-1-(oxolan-3-ylmethyl)pyrazole-3-carboxamide is CCCCc1cc(C(N)=O)nn1CC1CCOC1.
What is the InChIKey of 5-butyl-1-(oxolan-3-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is XTMAUWODHPPZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-2-3-4-11-7-12(13(14)17)15-16(11)8-10-5-6-18-9-10/h7,10H,2-6,8-9H2,1H3,(H2,14,17).
What are the key properties of 5-butyl-1-(oxolan-3-ylmethyl)pyrazole-3-carboxamide?
5-butyl-1-(oxolan-3-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-(oxolan-3-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 141473609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).