N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

C22H27N5O2 — CID 16673129

IUPACN-[1-(3-methoxyphenyl)cyclopentyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(C2(NC(=O)c3cc(-c4c(C)nn(C)c4C)n[nH]3)CCCC2)c1
InChIInChI=1S/C22H27N5O2/c1-14-20(15(2)27(3)26-14)18-13-19(25-24-18)21(28)23-22(10-5-6-11-22)16-8-7-9-17(12-16)29-4/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,23,28)(H,24,25)
InChIKeyVXPWRKHPGOGJJH-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.63
Rot. Bonds5

About N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide

N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (PubChem CID 16673129) has the molecular formula C22H27N5O2 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)cyclopentyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
PubChem CID16673129
Molecular FormulaC22H27N5O2
Molecular Weight393.49 g/mol
Exact Mass393.22
IUPAC NameN-[1-(3-methoxyphenyl)cyclopentyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(C2(NC(=O)c3cc(-c4c(C)nn(C)c4C)n[nH]3)CCCC2)c1
InChIInChI=1S/C22H27N5O2/c1-14-20(15(2)27(3)26-14)18-13-19(25-24-18)21(28)23-22(10-5-6-11-22)16-8-7-9-17(12-16)29-4/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,23,28)(H,24,25)
InChIKeyVXPWRKHPGOGJJH-UHFFFAOYSA-N
XLogP3.63
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 16672987
N-[(1-phenylcyclopropyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78880151
N-[2-(4-methoxyphenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78881598
N-[1-(4-methoxyphenyl)cyclohexyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 16672645
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazol-5-yl]methanone
CID 78879259
N-(2,3-dimethylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879388
N-(6-methoxy-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 71704901
N-(2-methoxy-4-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 167792498
N-[1-(3-methoxyphenyl)cyclopentyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 16668235
N-[1-(3-methoxyphenyl)cyclopentyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 16674747
N-[2-(2,6-dimethylphenoxy)ethyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 78879203
N-[3-(2-methoxyphenyl)propyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 16673124

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide (CID 16673129) is N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is COc1cccc(C2(NC(=O)c3cc(-c4c(C)nn(C)c4C)n[nH]3)CCCC2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is VXPWRKHPGOGJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O2/c1-14-20(15(2)27(3)26-14)18-13-19(25-24-18)21(28)23-22(10-5-6-11-22)16-8-7-9-17(12-16)29-4/h7-9,12-13H,5-6,10-11H2,1-4H3,(H,23,28)(H,24,25).
What are the key properties of N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide?
N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)cyclopentyl]-3-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 16673129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).