N-[3-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclohexanecarboxamide

C19H25N3O3 — CID 42685604

IUPACN-[3-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclohexanecarboxamide
SMILESCOc1ccc(-c2n[nH]c(C)c2NC(=O)C2CCCCC2)cc1OC
InChIInChI=1S/C19H25N3O3/c1-12-17(20-19(23)13-7-5-4-6-8-13)18(22-21-12)14-9-10-15(24-2)16(11-14)25-3/h9-11,13H,4-8H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyIVQFTZGEVOLZNC-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.92
Rot. Bonds5

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

N-[3-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclohexanecarboxamide (PubChem CID 42685604) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[3-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[3-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclohexanecarboxamide
PubChem CID42685604
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[3-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclohexanecarboxamide
SMILESCOc1ccc(-c2n[nH]c(C)c2NC(=O)C2CCCCC2)cc1OC
InChIInChI=1S/C19H25N3O3/c1-12-17(20-19(23)13-7-5-4-6-8-13)18(22-21-12)14-9-10-15(24-2)16(11-14)25-3/h9-11,13H,4-8H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyIVQFTZGEVOLZNC-UHFFFAOYSA-N
XLogP3.92
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[3-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclohexanecarboxamide (CID 42685604) is N-[3-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[3-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[3-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclohexanecarboxamide is COc1ccc(-c2n[nH]c(C)c2NC(=O)C2CCCCC2)cc1OC.
What is the InChIKey of N-[3-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclohexanecarboxamide?
The InChIKey is IVQFTZGEVOLZNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-12-17(20-19(23)13-7-5-4-6-8-13)18(22-21-12)14-9-10-15(24-2)16(11-14)25-3/h9-11,13H,4-8H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[3-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclohexanecarboxamide?
N-[3-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclohexanecarboxamide has a molecular weight of 343.43 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,4-dimethoxyphenyl)-5-methyl-1H-pyrazol-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 42685604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).