N-(1-carbamoylcyclopentyl)-3-(3,5-dimethylpyrazol-1-yl)benzamide

C18H22N4O2 — CID 72914025

IUPACN-(1-carbamoylcyclopentyl)-3-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2cccc(C(=O)NC3(C(N)=O)CCCC3)c2)n1
InChIInChI=1S/C18H22N4O2/c1-12-10-13(2)22(21-12)15-7-5-6-14(11-15)16(23)20-18(17(19)24)8-3-4-9-18/h5-7,10-11H,3-4,8-9H2,1-2H3,(H2,19,24)(H,20,23)
InChIKeyAIURJXNTFNHNEU-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.02
Rot. Bonds4

About N-(1-carbamoylcyclopentyl)-3-(3,5-dimethylpyrazol-1-yl)benzamide

N-(1-carbamoylcyclopentyl)-3-(3,5-dimethylpyrazol-1-yl)benzamide (PubChem CID 72914025) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(1-carbamoylcyclopentyl)-3-(3,5-dimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1-carbamoylcyclopentyl)-3-(3,5-dimethylpyrazol-1-yl)benzamide
PubChem CID72914025
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(1-carbamoylcyclopentyl)-3-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2cccc(C(=O)NC3(C(N)=O)CCCC3)c2)n1
InChIInChI=1S/C18H22N4O2/c1-12-10-13(2)22(21-12)15-7-5-6-14(11-15)16(23)20-18(17(19)24)8-3-4-9-18/h5-7,10-11H,3-4,8-9H2,1-2H3,(H2,19,24)(H,20,23)
InChIKeyAIURJXNTFNHNEU-UHFFFAOYSA-N
XLogP2.02
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-carbamoylcyclopentyl)-3-(3,5-dimethylpyrazol-1-yl)benzamide?
The IUPAC name of N-(1-carbamoylcyclopentyl)-3-(3,5-dimethylpyrazol-1-yl)benzamide (CID 72914025) is N-(1-carbamoylcyclopentyl)-3-(3,5-dimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(1-carbamoylcyclopentyl)-3-(3,5-dimethylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(1-carbamoylcyclopentyl)-3-(3,5-dimethylpyrazol-1-yl)benzamide is Cc1cc(C)n(-c2cccc(C(=O)NC3(C(N)=O)CCCC3)c2)n1.
What is the InChIKey of N-(1-carbamoylcyclopentyl)-3-(3,5-dimethylpyrazol-1-yl)benzamide?
The InChIKey is AIURJXNTFNHNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12-10-13(2)22(21-12)15-7-5-6-14(11-15)16(23)20-18(17(19)24)8-3-4-9-18/h5-7,10-11H,3-4,8-9H2,1-2H3,(H2,19,24)(H,20,23).
What are the key properties of N-(1-carbamoylcyclopentyl)-3-(3,5-dimethylpyrazol-1-yl)benzamide?
N-(1-carbamoylcyclopentyl)-3-(3,5-dimethylpyrazol-1-yl)benzamide has a molecular weight of 326.40 g/mol, XLogP of 2.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamoylcyclopentyl)-3-(3,5-dimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 72914025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).