N-cyclohexyl-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide

C24H26N4O — CID 4784426

IUPACN-cyclohexyl-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
SMILESCN(C(=O)C=Cc1cn(-c2ccccc2)nc1-c1cccnc1)C1CCCCC1
InChIInChI=1S/C24H26N4O/c1-27(21-10-4-2-5-11-21)23(29)15-14-20-18-28(22-12-6-3-7-13-22)26-24(20)19-9-8-16-25-17-19/h3,6-9,12-18,21H,2,4-5,10-11H2,1H3
InChIKeyZQXXKPPZFIJNMJ-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.74
Rot. Bonds5

About N-cyclohexyl-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide

N-cyclohexyl-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide (PubChem CID 4784426) has the molecular formula C24H26N4O and a molecular weight of 386.50 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
PubChem CID4784426
Molecular FormulaC24H26N4O
Molecular Weight386.50 g/mol
Exact Mass386.21
IUPAC NameN-cyclohexyl-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
SMILESCN(C(=O)C=Cc1cn(-c2ccccc2)nc1-c1cccnc1)C1CCCCC1
InChIInChI=1S/C24H26N4O/c1-27(21-10-4-2-5-11-21)23(29)15-14-20-18-28(22-12-6-3-7-13-22)26-24(20)19-9-8-16-25-17-19/h3,6-9,12-18,21H,2,4-5,10-11H2,1H3
InChIKeyZQXXKPPZFIJNMJ-UHFFFAOYSA-N
XLogP4.74
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-[1-(2-pyridin-2-ylethyl)piperidin-4-yl]prop-2-enamide
CID 60609193
(E)-3-(1,3-diphenylpyrazol-4-yl)-N-methyl-N-(1-methylpiperidin-4-yl)prop-2-enamide
CID 9167966
(Z)-3-[3-(1-benzofuran-2-yl)-1-phenylpyrazol-4-yl]-N-cyclohexyl-N-methylprop-2-enamide
CID 2123513
(E)-1-[4-(azepane-1-carbonyl)piperidin-1-yl]-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one
CID 31716696
(E)-N'-methyl-N'-phenyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enehydrazide
CID 9479636
(E)-N-butyl-N-ethyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
CID 35744788
3-(1,3-diphenylpyrazol-4-yl)-N-methyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 78770992
1-(4-phenylphenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one
CID 2876111
(E)-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
CID 166379826
(E)-N-tert-butyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide
CID 78777734
(E)-3-(1,3-diphenylpyrazol-4-yl)-1-pyridin-3-ylprop-2-en-1-one
CID 8854158
(E)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)-N-pyridin-3-ylprop-2-enamide
CID 26592504

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of N-cyclohexyl-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide (CID 4784426) is N-cyclohexyl-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for N-cyclohexyl-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for N-cyclohexyl-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide is CN(C(=O)C=Cc1cn(-c2ccccc2)nc1-c1cccnc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide?
The InChIKey is ZQXXKPPZFIJNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O/c1-27(21-10-4-2-5-11-21)23(29)15-14-20-18-28(22-12-6-3-7-13-22)26-24(20)19-9-8-16-25-17-19/h3,6-9,12-18,21H,2,4-5,10-11H2,1H3.
What are the key properties of N-cyclohexyl-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide?
N-cyclohexyl-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide has a molecular weight of 386.50 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 4784426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).