N-(4-methoxycyclohexyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide

C14H21N3O3 — CID 163311601

IUPACN-(4-methoxycyclohexyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
SMILESCOC1CCC(NC(=O)c2n[nH]c3c2COCC3)CC1
InChIInChI=1S/C14H21N3O3/c1-19-10-4-2-9(3-5-10)15-14(18)13-11-8-20-7-6-12(11)16-17-13/h9-10H,2-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyZHEBCWJEHXTDMV-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.17
Rot. Bonds3

About N-(4-methoxycyclohexyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide

N-(4-methoxycyclohexyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide (PubChem CID 163311601) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is N-(4-methoxycyclohexyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-methoxycyclohexyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
PubChem CID163311601
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC NameN-(4-methoxycyclohexyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
SMILESCOC1CCC(NC(=O)c2n[nH]c3c2COCC3)CC1
InChIInChI=1S/C14H21N3O3/c1-19-10-4-2-9(3-5-10)15-14(18)13-11-8-20-7-6-12(11)16-17-13/h9-10H,2-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyZHEBCWJEHXTDMV-UHFFFAOYSA-N
XLogP1.17
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[2-(1,1-difluoroethyl)-6-methylquinolin-4-yl]amino]cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 167099245
N-[(3S,4R)-3-methoxyoxan-4-yl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 91786522
N-[4-[[6-chloro-2-(trifluoromethyl)quinolin-4-yl]amino]cyclohexyl]-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 163267157
4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 162632727
N-(2,4-dimethylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 84578107
N-(2,5-dimethoxyphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 84577881
azepan-1-yl 1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxylate
CID 90769172
(2,6-dimethylpiperidin-1-yl)-(1,4,6,7-tetrahydropyrano[4,3-c]pyrazol-3-yl)methanone
CID 84577583
N-(3-acetylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 84578006
N-(3-methylphenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 84577240
N-(4-methoxycyclohexyl)-4-(oxane-4-carbonylamino)-1H-pyrazole-5-carboxamide
CID 118714251
N-(2-fluorophenyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide
CID 84577883

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxycyclohexyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
The IUPAC name of N-(4-methoxycyclohexyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide (CID 163311601) is N-(4-methoxycyclohexyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-methoxycyclohexyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
The canonical SMILES for N-(4-methoxycyclohexyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide is COC1CCC(NC(=O)c2n[nH]c3c2COCC3)CC1.
What is the InChIKey of N-(4-methoxycyclohexyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
The InChIKey is ZHEBCWJEHXTDMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-19-10-4-2-9(3-5-10)15-14(18)13-11-8-20-7-6-12(11)16-17-13/h9-10H,2-8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of N-(4-methoxycyclohexyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide?
N-(4-methoxycyclohexyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxycyclohexyl)-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole-3-carboxamide is sourced from PubChem (CID 163311601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).