N-butan-2-yl-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide

C15H18ClN3O2 — CID 19265186

IUPACN-butan-2-yl-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
SMILESCCC(C)NC(=O)c1ccn(COc2ccccc2Cl)n1
InChIInChI=1S/C15H18ClN3O2/c1-3-11(2)17-15(20)13-8-9-19(18-13)10-21-14-7-5-4-6-12(14)16/h4-9,11H,3,10H2,1-2H3,(H,17,20)
InChIKeyXAJQOBQDQHENQX-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.10
Rot. Bonds6

About N-butan-2-yl-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide

N-butan-2-yl-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 19265186) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-butan-2-yl-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
PubChem CID19265186
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-butan-2-yl-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide
SMILESCCC(C)NC(=O)c1ccn(COc2ccccc2Cl)n1
InChIInChI=1S/C15H18ClN3O2/c1-3-11(2)17-15(20)13-8-9-19(18-13)10-21-14-7-5-4-6-12(14)16/h4-9,11H,3,10H2,1-2H3,(H,17,20)
InChIKeyXAJQOBQDQHENQX-UHFFFAOYSA-N
XLogP3.10
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxyphenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 903366
4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
CID 891955
N-(4-chloro-2,5-dimethoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 903295
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methylpyrazole-3-carboxamide
CID 47084046
1-[(2-Chlorophenoxy)methyl]pyrazole-3-carboxamide
CID 4773972
1-[(2-Fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 4774030
3-(2-Chlorophenylcarbamoyl)-1H-pyrazole-1-carboxylic acid 4-chlorophenyl ester
CID 69633023
methyl 1-[(2-chlorophenoxy)methyl]-1H-pyrazole-3-carboxylate
CID 671228
1-[(3-chloro-4-fluorophenoxy)methyl]-N-(pyridin-4-yl)-1H-pyrazole-3-carboxamide
CID 4775217
{1-[(4-chlorophenoxy)methyl]-1H-pyrazol-5-yl}(thiomorpholin-4-yl)methanone
CID 4776307
{1-[(4-chlorophenoxy)methyl]-1H-pyrazol-5-yl}(morpholin-4-yl)methanone
CID 4776382
{1-[(4-chlorophenoxy)methyl]-1H-pyrazol-5-yl}(pyrrolidin-1-yl)methanone
CID 4863056

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-butan-2-yl-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide (CID 19265186) is N-butan-2-yl-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-butan-2-yl-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide is CCC(C)NC(=O)c1ccn(COc2ccccc2Cl)n1.
What is the InChIKey of N-butan-2-yl-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is XAJQOBQDQHENQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-3-11(2)17-15(20)13-8-9-19(18-13)10-21-14-7-5-4-6-12(14)16/h4-9,11H,3,10H2,1-2H3,(H,17,20).
What are the key properties of N-butan-2-yl-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide?
N-butan-2-yl-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 307.78 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-[(2-chlorophenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19265186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).