5-(4-chloro-1,3-diethylpyrazol-5-yl)-N-(1-cyclopropyl-2-methylpropan-2-yl)-4-(difluoromethoxy)pyridin-2-amine

C20H27ClF2N4O — CID 153296646

IUPAC5-(4-chloro-1,3-diethylpyrazol-5-yl)-N-(1-cyclopropyl-2-methylpropan-2-yl)-4-(difluoromethoxy)pyridin-2-amine
SMILESCCc1nn(CC)c(-c2cnc(NC(C)(C)CC3CC3)cc2OC(F)F)c1Cl
InChIInChI=1S/C20H27ClF2N4O/c1-5-14-17(21)18(27(6-2)26-14)13-11-24-16(9-15(13)28-19(22)23)25-20(3,4)10-12-7-8-12/h9,11-12,19H,5-8,10H2,1-4H3,(H,24,25)
InChIKeyKTSXDPFULONBGP-UHFFFAOYSA-N
MW412.91 g/mol
LogP5.77
Rot. Bonds9

About 5-(4-chloro-1,3-diethylpyrazol-5-yl)-N-(1-cyclopropyl-2-methylpropan-2-yl)-4-(difluoromethoxy)pyridin-2-amine

5-(4-chloro-1,3-diethylpyrazol-5-yl)-N-(1-cyclopropyl-2-methylpropan-2-yl)-4-(difluoromethoxy)pyridin-2-amine (PubChem CID 153296646) has the molecular formula C20H27ClF2N4O and a molecular weight of 412.91 g/mol. Its IUPAC name is 5-(4-chloro-1,3-diethylpyrazol-5-yl)-N-(1-cyclopropyl-2-methylpropan-2-yl)-4-(difluoromethoxy)pyridin-2-amine.

Molecular Properties

Compound Name5-(4-chloro-1,3-diethylpyrazol-5-yl)-N-(1-cyclopropyl-2-methylpropan-2-yl)-4-(difluoromethoxy)pyridin-2-amine
PubChem CID153296646
Molecular FormulaC20H27ClF2N4O
Molecular Weight412.91 g/mol
Exact Mass412.18
IUPAC Name5-(4-chloro-1,3-diethylpyrazol-5-yl)-N-(1-cyclopropyl-2-methylpropan-2-yl)-4-(difluoromethoxy)pyridin-2-amine
SMILESCCc1nn(CC)c(-c2cnc(NC(C)(C)CC3CC3)cc2OC(F)F)c1Cl
InChIInChI=1S/C20H27ClF2N4O/c1-5-14-17(21)18(27(6-2)26-14)13-11-24-16(9-15(13)28-19(22)23)25-20(3,4)10-12-7-8-12/h9,11-12,19H,5-8,10H2,1-4H3,(H,24,25)
InChIKeyKTSXDPFULONBGP-UHFFFAOYSA-N
XLogP5.77
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.91
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

carbon dioxide;5-(2,5-diethyl-4-methylpyrazol-3-yl)-4-(difluoromethoxy)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine
CID 157459466
carbon dioxide;2-chloro-5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(difluoromethoxy)pyridine
CID 161297245
4-chloro-5-[4-(difluoromethoxy)-6-[(4,4,4-trifluoro-2-methylbutan-2-yl)amino]-3-pyridinyl]-1-ethylpyrazole-3-carboxylic acid
CID 175085731
5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-(1,1-difluoroethyl)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine
CID 153296595
carbon dioxide;5-(4-chloro-1,3-diethylpyrazol-5-yl)-4-ethyl-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine
CID 159854115
4-(difluoromethoxy)-5-(1-ethyl-4-methylpyrazol-5-yl)-N-(4,4,4-trifluoro-2-methylbutan-2-yl)pyridin-2-amine
CID 153296584
4-chloro-5-[2-(difluoromethoxy)-4-(3,3,3-trifluoro-2,2-dimethylpropyl)phenyl]-1,3-diethylpyrazole
CID 153295995
4-chloro-5-[4-(difluoromethoxy)-6-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]-3-pyridinyl]-1-ethyl-N-[(4-methylsulfonylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 146286251
4-chloro-5-[4-(difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dimethylpropyl)-3-pyridinyl]-1-ethyl-N-[(4-methylcyclohexyl)methyl]pyrazole-3-carboxamide
CID 153296722
4-chloro-5-[2-(difluoromethoxy)-4-[(2S)-3,3,3-trifluoro-2-methylpropyl]phenyl]-1,3-diethylpyrazole
CID 153295881
4-chloro-5-[2-(difluoromethoxy)-4-(4,4,4-trifluoro-2,2-dimethylbutyl)phenyl]-1,3-diethylpyrazole
CID 153296144
ethyl 4-chloro-5-[4-(difluoromethoxy)-6-(propylamino)-3-pyridinyl]-1-ethylpyrazole-3-carboxylate
CID 146286385

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-1,3-diethylpyrazol-5-yl)-N-(1-cyclopropyl-2-methylpropan-2-yl)-4-(difluoromethoxy)pyridin-2-amine?
The IUPAC name of 5-(4-chloro-1,3-diethylpyrazol-5-yl)-N-(1-cyclopropyl-2-methylpropan-2-yl)-4-(difluoromethoxy)pyridin-2-amine (CID 153296646) is 5-(4-chloro-1,3-diethylpyrazol-5-yl)-N-(1-cyclopropyl-2-methylpropan-2-yl)-4-(difluoromethoxy)pyridin-2-amine.
What is the SMILES notation for 5-(4-chloro-1,3-diethylpyrazol-5-yl)-N-(1-cyclopropyl-2-methylpropan-2-yl)-4-(difluoromethoxy)pyridin-2-amine?
The canonical SMILES for 5-(4-chloro-1,3-diethylpyrazol-5-yl)-N-(1-cyclopropyl-2-methylpropan-2-yl)-4-(difluoromethoxy)pyridin-2-amine is CCc1nn(CC)c(-c2cnc(NC(C)(C)CC3CC3)cc2OC(F)F)c1Cl.
What is the InChIKey of 5-(4-chloro-1,3-diethylpyrazol-5-yl)-N-(1-cyclopropyl-2-methylpropan-2-yl)-4-(difluoromethoxy)pyridin-2-amine?
The InChIKey is KTSXDPFULONBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClF2N4O/c1-5-14-17(21)18(27(6-2)26-14)13-11-24-16(9-15(13)28-19(22)23)25-20(3,4)10-12-7-8-12/h9,11-12,19H,5-8,10H2,1-4H3,(H,24,25).
What are the key properties of 5-(4-chloro-1,3-diethylpyrazol-5-yl)-N-(1-cyclopropyl-2-methylpropan-2-yl)-4-(difluoromethoxy)pyridin-2-amine?
5-(4-chloro-1,3-diethylpyrazol-5-yl)-N-(1-cyclopropyl-2-methylpropan-2-yl)-4-(difluoromethoxy)pyridin-2-amine has a molecular weight of 412.91 g/mol, XLogP of 5.77, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-1,3-diethylpyrazol-5-yl)-N-(1-cyclopropyl-2-methylpropan-2-yl)-4-(difluoromethoxy)pyridin-2-amine is sourced from PubChem (CID 153296646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).