N-(1-cyanocyclohexyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide

C19H23N5O — CID 86802633

IUPACN-(1-cyanocyclohexyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide
SMILESCC(Nc1cnn(-c2ccccc2)c1)C(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C19H23N5O/c1-15(18(25)23-19(14-20)10-6-3-7-11-19)22-16-12-21-24(13-16)17-8-4-2-5-9-17/h2,4-5,8-9,12-13,15,22H,3,6-7,10-11H2,1H3,(H,23,25)
InChIKeyCXTPEKSICSXQLB-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.02
Rot. Bonds5

About N-(1-cyanocyclohexyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide

N-(1-cyanocyclohexyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide (PubChem CID 86802633) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide
PubChem CID86802633
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-(1-cyanocyclohexyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide
SMILESCC(Nc1cnn(-c2ccccc2)c1)C(=O)NC1(C#N)CCCCC1
InChIInChI=1S/C19H23N5O/c1-15(18(25)23-19(14-20)10-6-3-7-11-19)22-16-12-21-24(13-16)17-8-4-2-5-9-17/h2,4-5,8-9,12-13,15,22H,3,6-7,10-11H2,1H3,(H,23,25)
InChIKeyCXTPEKSICSXQLB-UHFFFAOYSA-N
XLogP3.02
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide
CID 86802727
(2S)-N-(1-cyanocyclohexyl)-2-phenylsulfanylpropanamide
CID 7821049
(2R)-N-(1-cyanocyclohexyl)-2-(1-phenyltetrazol-5-yl)sulfanylpropanamide
CID 7762424
N-(1-cyanocyclohexyl)-2,2-diphenylacetamide
CID 78830716
[1-[(1-cyanocyclohexyl)amino]-1-oxopropan-2-yl] 6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxylate
CID 18079161
N-(1-cyanocyclohexyl)-2-[(1-pyrimidin-2-ylpyrazol-4-yl)amino]acetamide
CID 126841344
N-(1-cyanocyclohexyl)-2-[3-fluoro-4-[methyl(propan-2-yl)amino]anilino]propanamide
CID 71888192
2-(1-hydroxycyclopentyl)-N-(1-phenylpyrazol-4-yl)acetamide
CID 111432531
2-bromo-N-(1-cyanocycloheptyl)propanamide
CID 107903353
(2S)-2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-cyanocyclohexyl)propanamide
CID 2565156
1-cyano-3-fluoro-N-(1-phenylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 129285325
(3R)-1-cyano-3-fluoro-N-(1-phenylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 129301849

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide (CID 86802633) is N-(1-cyanocyclohexyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide is CC(Nc1cnn(-c2ccccc2)c1)C(=O)NC1(C#N)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide?
The InChIKey is CXTPEKSICSXQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-15(18(25)23-19(14-20)10-6-3-7-11-19)22-16-12-21-24(13-16)17-8-4-2-5-9-17/h2,4-5,8-9,12-13,15,22H,3,6-7,10-11H2,1H3,(H,23,25).
What are the key properties of N-(1-cyanocyclohexyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide?
N-(1-cyanocyclohexyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide has a molecular weight of 337.43 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[(1-phenylpyrazol-4-yl)amino]propanamide is sourced from PubChem (CID 86802633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).