N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxycyclohexane-1-carboxamide

C15H25N3O2 — CID 112529992

IUPACN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxycyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)NCCc2c(C)n[nH]c2C)CC1
InChIInChI=1S/C15H25N3O2/c1-10-14(11(2)18-17-10)8-9-16-15(19)12-4-6-13(20-3)7-5-12/h12-13H,4-9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyQPKZYBFZXYLFDD-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.89
Rot. Bonds5

About N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxycyclohexane-1-carboxamide

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxycyclohexane-1-carboxamide (PubChem CID 112529992) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxycyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxycyclohexane-1-carboxamide
PubChem CID112529992
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxycyclohexane-1-carboxamide
SMILESCOC1CCC(C(=O)NCCc2c(C)n[nH]c2C)CC1
InChIInChI=1S/C15H25N3O2/c1-10-14(11(2)18-17-10)8-9-16-15(19)12-4-6-13(20-3)7-5-12/h12-13H,4-9H2,1-3H3,(H,16,19)(H,17,18)
InChIKeyQPKZYBFZXYLFDD-UHFFFAOYSA-N
XLogP1.89
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]cyclohexanecarboxamide
CID 110717086
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]azepane-4-carboxamide
CID 122568849
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-1-(2,2,2-trifluoroacetyl)piperidine-4-carboxamide
CID 110717151
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-7-carboxamide
CID 112529934
5-bromo-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 112529950
(3R)-N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 126445479
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]adamantane-1-carboxamide
CID 110717149
N-[2-[(4-methoxycyclohexyl)amino]ethyl]cyclopropanecarboxamide
CID 113422916
4-methoxy-N-[2-(3-methoxyphenyl)ethyl]cyclohexane-1-carboxamide
CID 112529647
3-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 128989723
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-3-phenoxypropanamide
CID 110717126
N-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]cyclobutanecarboxamide
CID 113086137

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxycyclohexane-1-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxycyclohexane-1-carboxamide (CID 112529992) is N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxycyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxycyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxycyclohexane-1-carboxamide is COC1CCC(C(=O)NCCc2c(C)n[nH]c2C)CC1.
What is the InChIKey of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxycyclohexane-1-carboxamide?
The InChIKey is QPKZYBFZXYLFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-10-14(11(2)18-17-10)8-9-16-15(19)12-4-6-13(20-3)7-5-12/h12-13H,4-9H2,1-3H3,(H,16,19)(H,17,18).
What are the key properties of N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxycyclohexane-1-carboxamide?
N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxycyclohexane-1-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 1.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methoxycyclohexane-1-carboxamide is sourced from PubChem (CID 112529992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).