3-(4-chlorophenyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide

C18H20ClN5O — CID 19509428

IUPAC3-(4-chlorophenyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCCn1cc(C(C)NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c(C)n1
InChIInChI=1S/C18H20ClN5O/c1-4-24-10-15(12(3)23-24)11(2)20-18(25)17-9-16(21-22-17)13-5-7-14(19)8-6-13/h5-11H,4H2,1-3H3,(H,20,25)(H,21,22)
InChIKeyAILGEELAYHYDEF-UHFFFAOYSA-N
MW357.85 g/mol
LogP3.75
Rot. Bonds5

About 3-(4-chlorophenyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide

3-(4-chlorophenyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 19509428) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID19509428
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC Name3-(4-chlorophenyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCCn1cc(C(C)NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c(C)n1
InChIInChI=1S/C18H20ClN5O/c1-4-24-10-15(12(3)23-24)11(2)20-18(25)17-9-16(21-22-17)13-5-7-14(19)8-6-13/h5-11H,4H2,1-3H3,(H,20,25)(H,21,22)
InChIKeyAILGEELAYHYDEF-UHFFFAOYSA-N
XLogP3.75
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509735
3-(4-chlorophenyl)-N-[1-(1-ethyl-5-methylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 19509481
1-(1-ethyl-3-methylpyrazol-4-yl)-N-[[3-(4-fluorophenyl)-1H-pyrazol-5-yl]methyl]ethanamine
CID 19627712
4-[[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]amino]-1-ethyl-N-propylpyrazole-3-carboxamide
CID 19398520
2-[(4-chlorophenoxy)methyl]-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 19507426
3-(4-chlorophenyl)-N-[1-(4-methoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 45030575
N-[(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-3-(4-fluorophenyl)-6-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51852870
3-(4-chlorophenyl)-N-(1-imidazo[2,1-b][1,3,4]thiadiazol-6-ylethyl)-1H-pyrazole-5-carboxamide
CID 91838300
2-(4-chloropyrazol-1-yl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]acetamide
CID 19524922
N-[1-(2-ethylpyrazol-3-yl)ethyl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513124
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-2-nitrobenzamide
CID 19462806
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-5-(4-propan-2-ylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19466724

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide (CID 19509428) is 3-(4-chlorophenyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide is CCn1cc(C(C)NC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)c(C)n1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is AILGEELAYHYDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O/c1-4-24-10-15(12(3)23-24)11(2)20-18(25)17-9-16(21-22-17)13-5-7-14(19)8-6-13/h5-11H,4H2,1-3H3,(H,20,25)(H,21,22).
What are the key properties of 3-(4-chlorophenyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 357.85 g/mol, XLogP of 3.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19509428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).