1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide

C22H23ClN4O — CID 71797525

IUPAC1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
SMILESCn1nc(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1-c1ccncc1
InChIInChI=1S/C22H23ClN4O/c1-27-20(16-8-12-24-13-9-16)14-19(26-27)15-25-21(28)22(10-2-3-11-22)17-4-6-18(23)7-5-17/h4-9,12-14H,2-3,10-11,15H2,1H3,(H,25,28)
InChIKeyAVMHWGIYNWTNEF-UHFFFAOYSA-N
MW394.91 g/mol
LogP4.26
Rot. Bonds5

About 1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide

1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide (PubChem CID 71797525) has the molecular formula C22H23ClN4O and a molecular weight of 394.91 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
PubChem CID71797525
Molecular FormulaC22H23ClN4O
Molecular Weight394.91 g/mol
Exact Mass394.16
IUPAC Name1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
SMILESCn1nc(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1-c1ccncc1
InChIInChI=1S/C22H23ClN4O/c1-27-20(16-8-12-24-13-9-16)14-19(26-27)15-25-21(28)22(10-2-3-11-22)17-4-6-18(23)7-5-17/h4-9,12-14H,2-3,10-11,15H2,1H3,(H,25,28)
InChIKeyAVMHWGIYNWTNEF-UHFFFAOYSA-N
XLogP4.26
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.91
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chlorophenyl)methyl]-3-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]urea
CID 90555219
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]butanamide
CID 90554937
1-(4-chlorophenyl)-N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 90556044
1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 90555086
3-methyl-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]butanamide
CID 90554943
2-methoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide
CID 90554940
1-(4-chlorophenyl)-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]cyclopentane-1-carboxamide
CID 71808503
N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]-2-(4-phenylphenyl)acetamide
CID 90555066
1-(4-chlorophenyl)-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide
CID 122351982
1-(4-chlorophenyl)-N-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methyl]cyclopentane-1-carboxamide
CID 122352808
N-[(1-methyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-1-thiophen-2-ylcyclopentane-1-carboxamide
CID 71797639
2-ethoxy-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]acetamide
CID 90554945

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide (CID 71797525) is 1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide is Cn1nc(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1-c1ccncc1.
What is the InChIKey of 1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide?
The InChIKey is AVMHWGIYNWTNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN4O/c1-27-20(16-8-12-24-13-9-16)14-19(26-27)15-25-21(28)22(10-2-3-11-22)17-4-6-18(23)7-5-17/h4-9,12-14H,2-3,10-11,15H2,1H3,(H,25,28).
What are the key properties of 1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide?
1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide has a molecular weight of 394.91 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-[(1-methyl-5-pyridin-4-ylpyrazol-3-yl)methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 71797525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).