N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-ethylpyrazole-3-carboxamide

C16H15Cl2N5O — CID 19398838

IUPACN-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1ccn(Cc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H15Cl2N5O/c1-2-23-14(5-7-19-23)16(24)20-15-6-8-22(21-15)10-11-3-4-12(17)13(18)9-11/h3-9H,2,10H2,1H3,(H,20,21,24)
InChIKeyBKSKIFGPGTXANS-UHFFFAOYSA-N
MW364.24 g/mol
LogP3.71
Rot. Bonds5

About N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-ethylpyrazole-3-carboxamide

N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-ethylpyrazole-3-carboxamide (PubChem CID 19398838) has the molecular formula C16H15Cl2N5O and a molecular weight of 364.24 g/mol. Its IUPAC name is N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-ethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-ethylpyrazole-3-carboxamide
PubChem CID19398838
Molecular FormulaC16H15Cl2N5O
Molecular Weight364.24 g/mol
Exact Mass363.07
IUPAC NameN-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-ethylpyrazole-3-carboxamide
SMILESCCn1nccc1C(=O)Nc1ccn(Cc2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C16H15Cl2N5O/c1-2-23-14(5-7-19-23)16(24)20-15-6-8-22(21-15)10-11-3-4-12(17)13(18)9-11/h3-9H,2,10H2,1H3,(H,20,21,24)
InChIKeyBKSKIFGPGTXANS-UHFFFAOYSA-N
XLogP3.71
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[(2-ethylpyrazole-3-carbonyl)amino]pyrazol-1-yl]acetic acid
CID 136552840
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-methylpyrazole-3-carboxamide
CID 19475543
1-butyl-3-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]urea
CID 19405812
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 19280663
1-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19399326
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-methoxybenzamide
CID 19398875
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19262280
N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19392903
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 19398933
3,4-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 1224524
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-4-sulfonamide
CID 22206959
3-(4-chlorophenyl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide
CID 19399053

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-ethylpyrazole-3-carboxamide?
The IUPAC name of N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-ethylpyrazole-3-carboxamide (CID 19398838) is N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-ethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-ethylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-ethylpyrazole-3-carboxamide is CCn1nccc1C(=O)Nc1ccn(Cc2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-ethylpyrazole-3-carboxamide?
The InChIKey is BKSKIFGPGTXANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5O/c1-2-23-14(5-7-19-23)16(24)20-15-6-8-22(21-15)10-11-3-4-12(17)13(18)9-11/h3-9H,2,10H2,1H3,(H,20,21,24).
What are the key properties of N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-ethylpyrazole-3-carboxamide?
N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-ethylpyrazole-3-carboxamide has a molecular weight of 364.24 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-ethylpyrazole-3-carboxamide is sourced from PubChem (CID 19398838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).