4-chloro-1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-5-carboxamide

C12H16ClN5O — CID 19294474

IUPAC4-chloro-1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-5-carboxamide
SMILESCCn1nccc1CNC(=O)c1c(Cl)cnn1CC
InChIInChI=1S/C12H16ClN5O/c1-3-17-9(5-6-15-17)7-14-12(19)11-10(13)8-16-18(11)4-2/h5-6,8H,3-4,7H2,1-2H3,(H,14,19)
InChIKeyOMHKHKDYJROQCW-UHFFFAOYSA-N
MW281.75 g/mol
LogP1.70
Rot. Bonds5

About 4-chloro-1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-5-carboxamide

4-chloro-1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-5-carboxamide (PubChem CID 19294474) has the molecular formula C12H16ClN5O and a molecular weight of 281.75 g/mol. Its IUPAC name is 4-chloro-1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-5-carboxamide
PubChem CID19294474
Molecular FormulaC12H16ClN5O
Molecular Weight281.75 g/mol
Exact Mass281.10
IUPAC Name4-chloro-1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-5-carboxamide
SMILESCCn1nccc1CNC(=O)c1c(Cl)cnn1CC
InChIInChI=1S/C12H16ClN5O/c1-3-17-9(5-6-15-17)7-14-12(19)11-10(13)8-16-18(11)4-2/h5-6,8H,3-4,7H2,1-2H3,(H,14,19)
InChIKeyOMHKHKDYJROQCW-UHFFFAOYSA-N
XLogP1.70
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazole-5-carboxamide
CID 19477268
4-chloro-N-[(2-ethylpyrazol-3-yl)methyl]benzamide
CID 19581522
4-chloro-1-ethyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19477226
4-chloro-1-ethyl-N-[(2-fluorophenyl)methyl]pyrazole-5-carboxamide
CID 3321903
N-[(2-ethylpyrazol-3-yl)methyl]-5-hydroxypyridine-2-carboxamide
CID 154869970
4-chloro-1-ethyl-N-prop-2-enylpyrazole-5-carboxamide
CID 19477175
N-[(2-ethylpyrazol-3-yl)methyl]-2-phenylacetamide
CID 19294481
4-chloro-N-(2,3-dichlorophenyl)-1-ethylpyrazole-5-carboxamide
CID 841895
2-[(4-chlorophenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-3-carboxamide
CID 19294713
N-[(2-ethylpyrazol-3-yl)methyl]-2,3-difluorobenzamide
CID 35520962
N-[(2-ethylpyrazol-3-yl)methyl]-3,4-dimethoxybenzamide
CID 19294681
3-(4-bromopyrazol-1-yl)-N-[(2-ethylpyrazol-3-yl)methyl]propanamide
CID 19294580

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-5-carboxamide (CID 19294474) is 4-chloro-1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-5-carboxamide is CCn1nccc1CNC(=O)c1c(Cl)cnn1CC.
What is the InChIKey of 4-chloro-1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-5-carboxamide?
The InChIKey is OMHKHKDYJROQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O/c1-3-17-9(5-6-15-17)7-14-12(19)11-10(13)8-16-18(11)4-2/h5-6,8H,3-4,7H2,1-2H3,(H,14,19).
What are the key properties of 4-chloro-1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-5-carboxamide?
4-chloro-1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 281.75 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 19294474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).