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

C18H28N4O3 — CID 169418153

IUPACN-[4-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]cyclohexyl]oxolane-2-carboxamide
SMILESCn1cc(CCNC(=O)C2CCC(NC(=O)C3CCCO3)CC2)cn1
InChIInChI=1S/C18H28N4O3/c1-22-12-13(11-20-22)8-9-19-17(23)14-4-6-15(7-5-14)21-18(24)16-3-2-10-25-16/h11-12,14-16H,2-10H2,1H3,(H,19,23)(H,21,24)
InChIKeyMLOQUBDQFSPMPG-UHFFFAOYSA-N
MW348.45 g/mol
LogP0.93
Rot. Bonds6

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

N-[4-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]cyclohexyl]oxolane-2-carboxamide (PubChem CID 169418153) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[4-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]cyclohexyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]cyclohexyl]oxolane-2-carboxamide
PubChem CID169418153
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC NameN-[4-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]cyclohexyl]oxolane-2-carboxamide
SMILESCn1cc(CCNC(=O)C2CCC(NC(=O)C3CCCO3)CC2)cn1
InChIInChI=1S/C18H28N4O3/c1-22-12-13(11-20-22)8-9-19-17(23)14-4-6-15(7-5-14)21-18(24)16-3-2-10-25-16/h11-12,14-16H,2-10H2,1H3,(H,19,23)(H,21,24)
InChIKeyMLOQUBDQFSPMPG-UHFFFAOYSA-N
XLogP0.93
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-4-carboxamide
CID 80682539
N-cyclopropyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]acetamide
CID 80688588
9-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986416
N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxolane-2-carboxamide
CID 75373223
(2R)-N-[1-(1-methylpyrazol-4-yl)sulfonylpiperidin-4-yl]oxolane-2-carboxamide
CID 97215975
(2R)-N-cyclopropyloxolane-2-carboxamide
CID 40569533
4-N-methyl-1-N-[2-(1-methylpyrazol-4-yl)ethyl]piperidine-1,4-dicarboxamide
CID 51084807
(1S,3R,4R)-3-amino-4-methoxy-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 155940977
N-[2-(cyclopropanecarbonylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 31364847
(2R)-N-[4-(methylamino)cyclohexyl]oxolane-2-carboxamide
CID 93256530
(2S)-N-[4-(methylamino)cyclohexyl]oxolane-2-carboxamide
CID 93256529
N-[4-(propylamino)cyclohexyl]oxolane-2-carboxamide
CID 43653441

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]cyclohexyl]oxolane-2-carboxamide?
The IUPAC name of N-[4-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]cyclohexyl]oxolane-2-carboxamide (CID 169418153) is N-[4-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]cyclohexyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[4-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]cyclohexyl]oxolane-2-carboxamide?
The canonical SMILES for N-[4-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]cyclohexyl]oxolane-2-carboxamide is Cn1cc(CCNC(=O)C2CCC(NC(=O)C3CCCO3)CC2)cn1.
What is the InChIKey of N-[4-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]cyclohexyl]oxolane-2-carboxamide?
The InChIKey is MLOQUBDQFSPMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-22-12-13(11-20-22)8-9-19-17(23)14-4-6-15(7-5-14)21-18(24)16-3-2-10-25-16/h11-12,14-16H,2-10H2,1H3,(H,19,23)(H,21,24).
What are the key properties of N-[4-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]cyclohexyl]oxolane-2-carboxamide?
N-[4-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]cyclohexyl]oxolane-2-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]cyclohexyl]oxolane-2-carboxamide is sourced from PubChem (CID 169418153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).