N-butan-2-yl-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide

C15H18ClN3O2 — CID 19507416

IUPACN-butan-2-yl-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide
SMILESCCC(C)NC(=O)c1ccnn1COc1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O2/c1-3-11(2)18-15(20)14-8-9-17-19(14)10-21-13-6-4-12(16)5-7-13/h4-9,11H,3,10H2,1-2H3,(H,18,20)
InChIKeyLFIIRVMFDAHGFT-UHFFFAOYSA-N
MW307.78 g/mol
LogP3.10
Rot. Bonds6

About N-butan-2-yl-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide

N-butan-2-yl-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 19507416) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-butan-2-yl-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide
PubChem CID19507416
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-butan-2-yl-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide
SMILESCCC(C)NC(=O)c1ccnn1COc1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O2/c1-3-11(2)18-15(20)14-8-9-17-19(14)10-21-13-6-4-12(16)5-7-13/h4-9,11H,3,10H2,1-2H3,(H,18,20)
InChIKeyLFIIRVMFDAHGFT-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

2-[(4-chlorophenoxy)methyl]-N-methylpyrazole-3-carboxamide
CID 19507567
2-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 19507426
2-[(4-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19294713
2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxylate
CID 7017629
propan-2-yl 4-[[2-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethylpyrazole-3-carboxylate
CID 19404559
2-[(4-chlorophenoxy)methyl]-N-(4,5-dimethyl-1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 19507558
2-[(4-chlorophenoxy)methyl]-N-[1-[(4-chlorophenyl)methyl]-5-methylpyrazol-3-yl]pyrazole-3-carboxamide
CID 19284118
2-[(4-chlorophenoxy)methyl]-N-[(1,3-dimethylpyrazol-4-yl)methyl]pyrazole-3-carboxamide
CID 19507370
4-[[2-[(4-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19400126
2-[(4-chlorophenoxy)methyl]-N-[2-(difluoromethoxy)-4-methylphenyl]pyrazole-3-carboxamide
CID 19507442
2-[(4-chlorophenoxy)methyl]-N-(4-ethoxy-2-nitrophenyl)pyrazole-3-carboxamide
CID 19507397
2-[(4-chlorophenoxy)methyl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]pyrazole-3-carboxamide
CID 19338784

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-butan-2-yl-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide (CID 19507416) is N-butan-2-yl-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-butan-2-yl-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide is CCC(C)NC(=O)c1ccnn1COc1ccc(Cl)cc1.
What is the InChIKey of N-butan-2-yl-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is LFIIRVMFDAHGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c1-3-11(2)18-15(20)14-8-9-17-19(14)10-21-13-6-4-12(16)5-7-13/h4-9,11H,3,10H2,1-2H3,(H,18,20).
What are the key properties of N-butan-2-yl-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide?
N-butan-2-yl-2-[(4-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-2-[(4-chlorophenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19507416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).