N-[2-(3-chlorophenyl)ethyl]-5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide

C20H25ClN4O2 — CID 51999876

IUPACN-[2-(3-chlorophenyl)ethyl]-5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCCc2cccc(Cl)c2)cc1NC(=O)C1CCCCC1
InChIInChI=1S/C20H25ClN4O2/c1-25-18(23-19(26)15-7-3-2-4-8-15)13-17(24-25)20(27)22-11-10-14-6-5-9-16(21)12-14/h5-6,9,12-13,15H,2-4,7-8,10-11H2,1H3,(H,22,27)(H,23,26)
InChIKeyGJOKIQNFMLNLKJ-UHFFFAOYSA-N
MW388.90 g/mol
LogP3.56
Rot. Bonds6

About N-[2-(3-chlorophenyl)ethyl]-5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide

N-[2-(3-chlorophenyl)ethyl]-5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide (PubChem CID 51999876) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)ethyl]-5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)ethyl]-5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide
PubChem CID51999876
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC NameN-[2-(3-chlorophenyl)ethyl]-5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide
SMILESCn1nc(C(=O)NCCc2cccc(Cl)c2)cc1NC(=O)C1CCCCC1
InChIInChI=1S/C20H25ClN4O2/c1-25-18(23-19(26)15-7-3-2-4-8-15)13-17(24-25)20(27)22-11-10-14-6-5-9-16(21)12-14/h5-6,9,12-13,15H,2-4,7-8,10-11H2,1H3,(H,22,27)(H,23,26)
InChIKeyGJOKIQNFMLNLKJ-UHFFFAOYSA-N
XLogP3.56
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(cyclohexanecarbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 51999785
5-(cyclopentanecarbonylamino)-N-[2-(2-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
CID 51999682
5-(cyclopentanecarbonylamino)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 51999568
5-(cyclohexanecarbonylamino)-N-[(2-methoxyphenyl)methyl]-1-methylpyrazole-3-carboxamide
CID 51999865
5-(cyclopentanecarbonylamino)-1-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 51999563
5-(cyclohexanecarbonylamino)-1-methyl-N-[(1-methylbenzimidazol-2-yl)methyl]pyrazole-3-carboxamide
CID 51999832
6-(azepan-1-yl)-N-[2-(3-chlorophenyl)ethyl]pyridazine-3-carboxamide
CID 109126321
5-(cyclopentanecarbonylamino)-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-3-carboxamide
CID 51999721
N-[2-(3-chlorophenyl)ethyl]-6-methyl-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109322327
2-(azepan-1-yl)-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109334319
5-(furan-2-carbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 51999001
N-[2-(3-chlorophenyl)ethyl]-5-methyl-1-propan-2-ylpyrazole-3-carboxamide
CID 110681602

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)ethyl]-5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(3-chlorophenyl)ethyl]-5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide (CID 51999876) is N-[2-(3-chlorophenyl)ethyl]-5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)ethyl]-5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(3-chlorophenyl)ethyl]-5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide is Cn1nc(C(=O)NCCc2cccc(Cl)c2)cc1NC(=O)C1CCCCC1.
What is the InChIKey of N-[2-(3-chlorophenyl)ethyl]-5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide?
The InChIKey is GJOKIQNFMLNLKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2/c1-25-18(23-19(26)15-7-3-2-4-8-15)13-17(24-25)20(27)22-11-10-14-6-5-9-16(21)12-14/h5-6,9,12-13,15H,2-4,7-8,10-11H2,1H3,(H,22,27)(H,23,26).
What are the key properties of N-[2-(3-chlorophenyl)ethyl]-5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide?
N-[2-(3-chlorophenyl)ethyl]-5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide has a molecular weight of 388.90 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)ethyl]-5-(cyclohexanecarbonylamino)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 51999876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).