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

C19H24N4O2 — CID 72875646

IUPACN-(1-carbamoylcyclohexyl)-3-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2cccc(C(=O)NC3(C(N)=O)CCCCC3)c2)n1
InChIInChI=1S/C19H24N4O2/c1-13-11-14(2)23(22-13)16-8-6-7-15(12-16)17(24)21-19(18(20)25)9-4-3-5-10-19/h6-8,11-12H,3-5,9-10H2,1-2H3,(H2,20,25)(H,21,24)
InChIKeyHXZPAECEALUHGM-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.41
Rot. Bonds4

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

N-(1-carbamoylcyclohexyl)-3-(3,5-dimethylpyrazol-1-yl)benzamide (PubChem CID 72875646) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-(1-carbamoylcyclohexyl)-3-(3,5-dimethylpyrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-(1-carbamoylcyclohexyl)-3-(3,5-dimethylpyrazol-1-yl)benzamide
PubChem CID72875646
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-(1-carbamoylcyclohexyl)-3-(3,5-dimethylpyrazol-1-yl)benzamide
SMILESCc1cc(C)n(-c2cccc(C(=O)NC3(C(N)=O)CCCCC3)c2)n1
InChIInChI=1S/C19H24N4O2/c1-13-11-14(2)23(22-13)16-8-6-7-15(12-16)17(24)21-19(18(20)25)9-4-3-5-10-19/h6-8,11-12H,3-5,9-10H2,1-2H3,(H2,20,25)(H,21,24)
InChIKeyHXZPAECEALUHGM-UHFFFAOYSA-N
XLogP2.41
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-carbamoylcyclohexyl)-3-(3,5-dimethylpyrazol-1-yl)benzamide?
The IUPAC name of N-(1-carbamoylcyclohexyl)-3-(3,5-dimethylpyrazol-1-yl)benzamide (CID 72875646) is N-(1-carbamoylcyclohexyl)-3-(3,5-dimethylpyrazol-1-yl)benzamide.
What is the SMILES notation for N-(1-carbamoylcyclohexyl)-3-(3,5-dimethylpyrazol-1-yl)benzamide?
The canonical SMILES for N-(1-carbamoylcyclohexyl)-3-(3,5-dimethylpyrazol-1-yl)benzamide is Cc1cc(C)n(-c2cccc(C(=O)NC3(C(N)=O)CCCCC3)c2)n1.
What is the InChIKey of N-(1-carbamoylcyclohexyl)-3-(3,5-dimethylpyrazol-1-yl)benzamide?
The InChIKey is HXZPAECEALUHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-11-14(2)23(22-13)16-8-6-7-15(12-16)17(24)21-19(18(20)25)9-4-3-5-10-19/h6-8,11-12H,3-5,9-10H2,1-2H3,(H2,20,25)(H,21,24).
What are the key properties of N-(1-carbamoylcyclohexyl)-3-(3,5-dimethylpyrazol-1-yl)benzamide?
N-(1-carbamoylcyclohexyl)-3-(3,5-dimethylpyrazol-1-yl)benzamide has a molecular weight of 340.43 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-carbamoylcyclohexyl)-3-(3,5-dimethylpyrazol-1-yl)benzamide is sourced from PubChem (CID 72875646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).