N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide

C20H25N3O3 — CID 42685663

IUPACN-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide
SMILESCOc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)C2CCCC2)cc1OC
InChIInChI=1S/C20H25N3O3/c1-25-15-10-9-14(11-16(15)26-2)18-19(17(22-23-18)12-7-8-12)21-20(24)13-5-3-4-6-13/h9-13H,3-8H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyHVMSDRWLZKVHGY-UHFFFAOYSA-N
MW355.44 g/mol
LogP4.10
Rot. Bonds6

About N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide

N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide (PubChem CID 42685663) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide
PubChem CID42685663
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC NameN-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide
SMILESCOc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)C2CCCC2)cc1OC
InChIInChI=1S/C20H25N3O3/c1-25-15-10-9-14(11-16(15)26-2)18-19(17(22-23-18)12-7-8-12)21-20(24)13-5-3-4-6-13/h9-13H,3-8H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyHVMSDRWLZKVHGY-UHFFFAOYSA-N
XLogP4.10
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]-2-phenylbutanamide
CID 93005058
N-(5-cyclopropyl-3-phenyl-1H-pyrazol-4-yl)-3,4-dimethoxybenzamide
CID 42874460
4-chloro-N-[3-(3,4-dimethoxyphenyl)-5-(oxan-4-yl)-1H-pyrazol-4-yl]benzamide
CID 42874002
N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide
CID 3502281
N-[5-ethyl-3-(3-methoxyphenyl)-1H-pyrazol-4-yl]cyclohexanecarboxamide
CID 42686888
N-[2-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]cyclohexanecarboxamide
CID 42693768
N-[2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]cyclopentanecarboxamide
CID 42693785
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
CID 18584049
N-[3-(2,4-dimethoxyphenyl)-5-ethyl-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 42686795
2-cyclopentyl-N-[3-(3,4-dimethoxyphenyl)-5-(2-methylpropyl)-1H-pyrazol-4-yl]acetamide
CID 42685731
N-[5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]cyclopentanecarboxamide
CID 155537883
N-[3-(2,5-dimethoxyphenyl)-5-propyl-1H-pyrazol-4-yl]cyclobutanecarboxamide
CID 42685811

Frequently Asked Questions

What is the IUPAC name of N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide?
The IUPAC name of N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide (CID 42685663) is N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide is COc1ccc(-c2n[nH]c(C3CC3)c2NC(=O)C2CCCC2)cc1OC.
What is the InChIKey of N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide?
The InChIKey is HVMSDRWLZKVHGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-25-15-10-9-14(11-16(15)26-2)18-19(17(22-23-18)12-7-8-12)21-20(24)13-5-3-4-6-13/h9-13H,3-8H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide?
N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide has a molecular weight of 355.44 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyclopropyl-3-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]cyclopentanecarboxamide is sourced from PubChem (CID 42685663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).