N-[4-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]cyclohexyl]oxolane-3-carboxamide

C17H25ClN4O3 — CID 169420827

IUPACN-[4-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]cyclohexyl]oxolane-3-carboxamide
SMILESO=C(NCCn1cc(Cl)cn1)C1CCC(NC(=O)C2CCOC2)CC1
InChIInChI=1S/C17H25ClN4O3/c18-14-9-20-22(10-14)7-6-19-16(23)12-1-3-15(4-2-12)21-17(24)13-5-8-25-11-13/h9-10,12-13,15H,1-8,11H2,(H,19,23)(H,21,24)
InChIKeyYJYLONWSSQENDB-UHFFFAOYSA-N
MW368.87 g/mol
LogP1.36
Rot. Bonds6

About N-[4-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]cyclohexyl]oxolane-3-carboxamide

N-[4-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]cyclohexyl]oxolane-3-carboxamide (PubChem CID 169420827) has the molecular formula C17H25ClN4O3 and a molecular weight of 368.87 g/mol. Its IUPAC name is N-[4-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]cyclohexyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]cyclohexyl]oxolane-3-carboxamide
PubChem CID169420827
Molecular FormulaC17H25ClN4O3
Molecular Weight368.87 g/mol
Exact Mass368.16
IUPAC NameN-[4-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]cyclohexyl]oxolane-3-carboxamide
SMILESO=C(NCCn1cc(Cl)cn1)C1CCC(NC(=O)C2CCOC2)CC1
InChIInChI=1S/C17H25ClN4O3/c18-14-9-20-22(10-14)7-6-19-16(23)12-1-3-15(4-2-12)21-17(24)13-5-8-25-11-13/h9-10,12-13,15H,1-8,11H2,(H,19,23)(H,21,24)
InChIKeyYJYLONWSSQENDB-UHFFFAOYSA-N
XLogP1.36
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropanecarboxamide
CID 19330222
cis-(1R,3S)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide
CID 133120673
(4aR,6S,8aR)-N-[2-(4-chloropyrazol-1-yl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine-6-carboxamide;hydrochloride
CID 163334385
N-[[1-[2-(4-chloropyrazol-1-yl)ethyl]piperidin-3-yl]methyl]oxane-4-carboxamide
CID 131951672
cis-(1S,2R)-2-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 51699124
(3R)-N-[2-(4-chloropyrazol-1-yl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 97136827
3-(4-chloropyrazol-1-yl)-N-cyclopropyl-2-methylpropanamide
CID 19570325
4-N-cyclopropyl-1-N-[2-(2,4-dichlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 109144732
(1R,6R)-6-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 51699055
(3S)-N-[2-(2-cyclopropylimidazol-1-yl)ethyl]oxolane-3-carboxamide
CID 100681126
2-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]acetamide
CID 19283543
3-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide
CID 19283459

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]cyclohexyl]oxolane-3-carboxamide?
The IUPAC name of N-[4-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]cyclohexyl]oxolane-3-carboxamide (CID 169420827) is N-[4-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]cyclohexyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[4-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]cyclohexyl]oxolane-3-carboxamide?
The canonical SMILES for N-[4-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]cyclohexyl]oxolane-3-carboxamide is O=C(NCCn1cc(Cl)cn1)C1CCC(NC(=O)C2CCOC2)CC1.
What is the InChIKey of N-[4-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]cyclohexyl]oxolane-3-carboxamide?
The InChIKey is YJYLONWSSQENDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN4O3/c18-14-9-20-22(10-14)7-6-19-16(23)12-1-3-15(4-2-12)21-17(24)13-5-8-25-11-13/h9-10,12-13,15H,1-8,11H2,(H,19,23)(H,21,24).
What are the key properties of N-[4-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]cyclohexyl]oxolane-3-carboxamide?
N-[4-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]cyclohexyl]oxolane-3-carboxamide has a molecular weight of 368.87 g/mol, XLogP of 1.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]cyclohexyl]oxolane-3-carboxamide is sourced from PubChem (CID 169420827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).