N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide

C12H16ClN5O — CID 19296706

IUPACN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCCn1ncc(Cl)c1CNC(=O)c1cn(C)nc1C
InChIInChI=1S/C12H16ClN5O/c1-4-18-11(10(13)5-15-18)6-14-12(19)9-7-17(3)16-8(9)2/h5,7H,4,6H2,1-3H3,(H,14,19)
InChIKeyUAGPBSIDFKOHFL-UHFFFAOYSA-N
MW281.75 g/mol
LogP1.53
Rot. Bonds4

About N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 19296706) has the molecular formula C12H16ClN5O and a molecular weight of 281.75 g/mol. Its IUPAC name is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID19296706
Molecular FormulaC12H16ClN5O
Molecular Weight281.75 g/mol
Exact Mass281.10
IUPAC NameN-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCCn1ncc(Cl)c1CNC(=O)c1cn(C)nc1C
InChIInChI=1S/C12H16ClN5O/c1-4-18-11(10(13)5-15-18)6-14-12(19)9-7-17(3)16-8(9)2/h5,7H,4,6H2,1-3H3,(H,14,19)
InChIKeyUAGPBSIDFKOHFL-UHFFFAOYSA-N
XLogP1.53
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-methylbenzamide
CID 19322664
N-[(1-ethylpyrazol-4-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide
CID 19474824
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-2-nitrobenzamide
CID 19296653
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-ethyl-4-nitropyrazole-3-carboxamide
CID 19296655
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]propanamide
CID 19296799
2-(4-chlorobenzoyl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]benzamide
CID 19296874
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]propanamide
CID 19296892
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-4-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 19296883
N-(4-chlorobutyl)-1,3-dimethylpyrazole-4-carboxamide
CID 106845570
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-2-chlorobenzamide
CID 19322995
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19296886
4-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrazole-5-carboxamide
CID 19620425

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide (CID 19296706) is N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide is CCn1ncc(Cl)c1CNC(=O)c1cn(C)nc1C.
What is the InChIKey of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is UAGPBSIDFKOHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN5O/c1-4-18-11(10(13)5-15-18)6-14-12(19)9-7-17(3)16-8(9)2/h5,7H,4,6H2,1-3H3,(H,14,19).
What are the key properties of N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide?
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 281.75 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 19296706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).