N-(2-hydroxycyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide

C15H23N3O2 — CID 76941637

IUPACN-(2-hydroxycyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
SMILESCc1nn(C)c(C)c1C=CC(=O)NC1CCCCC1O
InChIInChI=1S/C15H23N3O2/c1-10-12(11(2)18(3)17-10)8-9-15(20)16-13-6-4-5-7-14(13)19/h8-9,13-14,19H,4-7H2,1-3H3,(H,16,20)
InChIKeyAXQIHXNDIJOGER-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.47
Rot. Bonds3

About N-(2-hydroxycyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide

N-(2-hydroxycyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide (PubChem CID 76941637) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-(2-hydroxycyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound NameN-(2-hydroxycyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
PubChem CID76941637
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC NameN-(2-hydroxycyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
SMILESCc1nn(C)c(C)c1C=CC(=O)NC1CCCCC1O
InChIInChI=1S/C15H23N3O2/c1-10-12(11(2)18(3)17-10)8-9-15(20)16-13-6-4-5-7-14(13)19/h8-9,13-14,19H,4-7H2,1-3H3,(H,16,20)
InChIKeyAXQIHXNDIJOGER-UHFFFAOYSA-N
XLogP1.47
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-(2-hydroxycyclohexyl)prop-2-enamide
CID 76941444
N-(3-hydroxycyclobutyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 77104868
N-[(2-hydroxycyclohexyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 77050229
(E)-N-(3-methylcyclopentyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 114550050
cis-(1R,3S)-3-[[(E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoyl]amino]cyclopentane-1-carboxylic acid
CID 106319981
(E)-N-[(1R,2R)-2-hydroxycyclohexyl]-3-(1-methylpyrazol-4-yl)prop-2-enamide
CID 104927951
(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[2-(hydroxymethyl)cyclohexyl]prop-2-enamide
CID 103798440
(E)-3-(5-chloro-1,3-dimethylpyrazol-4-yl)-N-[2-(hydroxymethyl)cyclopentyl]prop-2-enamide
CID 103751417
(E)-1-(3,4-dihydroxypyrrolidin-1-yl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-en-1-one
CID 106671386
(E)-N-(2-hydroxycyclohexyl)-3-(5-methylthiophen-2-yl)prop-2-enamide
CID 55063839
(E)-N-(1-methylpyrazol-4-yl)sulfonyl-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide
CID 75407110
(E)-N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methylphenyl)prop-2-enamide
CID 104957464

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxycyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of N-(2-hydroxycyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide (CID 76941637) is N-(2-hydroxycyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for N-(2-hydroxycyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for N-(2-hydroxycyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide is Cc1nn(C)c(C)c1C=CC(=O)NC1CCCCC1O.
What is the InChIKey of N-(2-hydroxycyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide?
The InChIKey is AXQIHXNDIJOGER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-10-12(11(2)18(3)17-10)8-9-15(20)16-13-6-4-5-7-14(13)19/h8-9,13-14,19H,4-7H2,1-3H3,(H,16,20).
What are the key properties of N-(2-hydroxycyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide?
N-(2-hydroxycyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide has a molecular weight of 277.37 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxycyclohexyl)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 76941637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).