N-(4-methoxycyclohexyl)-4-(oxane-4-carbonylamino)-1H-pyrazole-5-carboxamide

C17H26N4O4 — CID 118714251

IUPACN-(4-methoxycyclohexyl)-4-(oxane-4-carbonylamino)-1H-pyrazole-5-carboxamide
SMILESCOC1CCC(NC(=O)c2[nH]ncc2NC(=O)C2CCOCC2)CC1
InChIInChI=1S/C17H26N4O4/c1-24-13-4-2-12(3-5-13)19-17(23)15-14(10-18-21-15)20-16(22)11-6-8-25-9-7-11/h10-13H,2-9H2,1H3,(H,18,21)(H,19,23)(H,20,22)
InChIKeyQIEFQCNWXLTEAU-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.46
Rot. Bonds5

About N-(4-methoxycyclohexyl)-4-(oxane-4-carbonylamino)-1H-pyrazole-5-carboxamide

N-(4-methoxycyclohexyl)-4-(oxane-4-carbonylamino)-1H-pyrazole-5-carboxamide (PubChem CID 118714251) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(4-methoxycyclohexyl)-4-(oxane-4-carbonylamino)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxycyclohexyl)-4-(oxane-4-carbonylamino)-1H-pyrazole-5-carboxamide
PubChem CID118714251
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC NameN-(4-methoxycyclohexyl)-4-(oxane-4-carbonylamino)-1H-pyrazole-5-carboxamide
SMILESCOC1CCC(NC(=O)c2[nH]ncc2NC(=O)C2CCOCC2)CC1
InChIInChI=1S/C17H26N4O4/c1-24-13-4-2-12(3-5-13)19-17(23)15-14(10-18-21-15)20-16(22)11-6-8-25-9-7-11/h10-13H,2-9H2,1H3,(H,18,21)(H,19,23)(H,20,22)
InChIKeyQIEFQCNWXLTEAU-UHFFFAOYSA-N
XLogP1.46
TPSA105.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxycyclohexyl)-4-(oxane-4-carbonylamino)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(4-methoxycyclohexyl)-4-(oxane-4-carbonylamino)-1H-pyrazole-5-carboxamide (CID 118714251) is N-(4-methoxycyclohexyl)-4-(oxane-4-carbonylamino)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(4-methoxycyclohexyl)-4-(oxane-4-carbonylamino)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(4-methoxycyclohexyl)-4-(oxane-4-carbonylamino)-1H-pyrazole-5-carboxamide is COC1CCC(NC(=O)c2[nH]ncc2NC(=O)C2CCOCC2)CC1.
What is the InChIKey of N-(4-methoxycyclohexyl)-4-(oxane-4-carbonylamino)-1H-pyrazole-5-carboxamide?
The InChIKey is QIEFQCNWXLTEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-24-13-4-2-12(3-5-13)19-17(23)15-14(10-18-21-15)20-16(22)11-6-8-25-9-7-11/h10-13H,2-9H2,1H3,(H,18,21)(H,19,23)(H,20,22).
What are the key properties of N-(4-methoxycyclohexyl)-4-(oxane-4-carbonylamino)-1H-pyrazole-5-carboxamide?
N-(4-methoxycyclohexyl)-4-(oxane-4-carbonylamino)-1H-pyrazole-5-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxycyclohexyl)-4-(oxane-4-carbonylamino)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118714251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).