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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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).