N-[(3,4-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C16H19N3O3 — CID 110388851

IUPACN-[(3,4-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2n[nH]c3c2CCC3)cc1OC
InChIInChI=1S/C16H19N3O3/c1-21-13-7-6-10(8-14(13)22-2)9-17-16(20)15-11-4-3-5-12(11)18-19-15/h6-8H,3-5,9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyWHHLZVZYRXWKGG-UHFFFAOYSA-N
MW301.35 g/mol
LogP1.85
Rot. Bonds5

About N-[(3,4-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[(3,4-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 110388851) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID110388851
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2n[nH]c3c2CCC3)cc1OC
InChIInChI=1S/C16H19N3O3/c1-21-13-7-6-10(8-14(13)22-2)9-17-16(20)15-11-4-3-5-12(11)18-19-15/h6-8H,3-5,9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyWHHLZVZYRXWKGG-UHFFFAOYSA-N
XLogP1.85
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-ethoxy-4-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 46921220
N-[(4-butoxy-3-methoxyphenyl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112824285
N'-[1-(3,4-dimethoxyphenyl)ethenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carbohydrazide
CID 4230884
N-[2-(3,4-dimethoxyphenyl)-2-pyrrolidin-1-ylethyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110622743
N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 119072224
4-amino-N-[(3,4-dimethoxyphenyl)methyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 62082800
N-benzyl-5-[2-(3,4-dimethoxyphenyl)acetyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
CID 46075959
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazole-3-carboxamide
CID 125432821
5-cyclopropyl-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-3-carboxamide
CID 46642727
N-(3-benzamido-4-methoxyphenyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 46323290
(3,4-dimethoxyphenyl)methylcarbamothioic S-acid
CID 115169922
N-(naphthalen-1-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112820541

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 110388851) is N-[(3,4-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is COc1ccc(CNC(=O)c2n[nH]c3c2CCC3)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is WHHLZVZYRXWKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-21-13-7-6-10(8-14(13)22-2)9-17-16(20)15-11-4-3-5-12(11)18-19-15/h6-8H,3-5,9H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[(3,4-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 110388851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).