4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-5-carboxamide

C16H14Cl2FN5O — CID 19410315

IUPAC4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)Nc1cnn(Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C16H14Cl2FN5O/c1-2-24-15(13(18)7-21-24)16(25)22-10-6-20-23(8-10)9-11-12(17)4-3-5-14(11)19/h3-8H,2,9H2,1H3,(H,22,25)
InChIKeyWBORXTZLYNQQOF-UHFFFAOYSA-N
MW382.23 g/mol
LogP3.85
Rot. Bonds5

About 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-5-carboxamide

4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-5-carboxamide (PubChem CID 19410315) has the molecular formula C16H14Cl2FN5O and a molecular weight of 382.23 g/mol. Its IUPAC name is 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-5-carboxamide
PubChem CID19410315
Molecular FormulaC16H14Cl2FN5O
Molecular Weight382.23 g/mol
Exact Mass381.06
IUPAC Name4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(Cl)c1C(=O)Nc1cnn(Cc2c(F)cccc2Cl)c1
InChIInChI=1S/C16H14Cl2FN5O/c1-2-24-15(13(18)7-21-24)16(25)22-10-6-20-23(8-10)9-11-12(17)4-3-5-14(11)19/h3-8H,2,9H2,1H3,(H,22,25)
InChIKeyWBORXTZLYNQQOF-UHFFFAOYSA-N
XLogP3.85
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.23
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-ethylpyrazole-5-carboxamide
CID 19477357
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-2-(4-chloro-5-methylpyrazol-1-yl)acetamide
CID 19410448
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]pyridine-2-carboxamide
CID 35761688
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-ethoxybenzamide
CID 19410339
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-methoxybenzamide
CID 19410382
4-[[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498650
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-3,4-dimethoxybenzamide
CID 1244331
1-butyl-3-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19343891
2-[2-[[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485556
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-3-(difluoromethoxy)benzamide
CID 19410406
N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-4-(difluoromethoxy)-3-ethoxybenzamide
CID 19410483
4-chloro-1-ethyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-5-carboxamide
CID 19477423

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-5-carboxamide (CID 19410315) is 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-5-carboxamide is CCn1ncc(Cl)c1C(=O)Nc1cnn(Cc2c(F)cccc2Cl)c1.
What is the InChIKey of 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-5-carboxamide?
The InChIKey is WBORXTZLYNQQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2FN5O/c1-2-24-15(13(18)7-21-24)16(25)22-10-6-20-23(8-10)9-11-12(17)4-3-5-14(11)19/h3-8H,2,9H2,1H3,(H,22,25).
What are the key properties of 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-5-carboxamide?
4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-5-carboxamide has a molecular weight of 382.23 g/mol, XLogP of 3.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 19410315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).