4-chloro-2-[3-[5-(difluoromethyl)-4-methylpyrazol-1-yl]piperidin-1-yl]phenol

C16H18ClF2N3O — CID 167106705

IUPAC4-chloro-2-[3-[5-(difluoromethyl)-4-methylpyrazol-1-yl]piperidin-1-yl]phenol
SMILESCc1cnn(C2CCCN(c3cc(Cl)ccc3O)C2)c1C(F)F
InChIInChI=1S/C16H18ClF2N3O/c1-10-8-20-22(15(10)16(18)19)12-3-2-6-21(9-12)13-7-11(17)4-5-14(13)23/h4-5,7-8,12,16,23H,2-3,6,9H2,1H3
InChIKeyCAQIPNSVBVFXCO-UHFFFAOYSA-N
MW341.79 g/mol
LogP4.33
Rot. Bonds3

About 4-chloro-2-[3-[5-(difluoromethyl)-4-methylpyrazol-1-yl]piperidin-1-yl]phenol

4-chloro-2-[3-[5-(difluoromethyl)-4-methylpyrazol-1-yl]piperidin-1-yl]phenol (PubChem CID 167106705) has the molecular formula C16H18ClF2N3O and a molecular weight of 341.79 g/mol. Its IUPAC name is 4-chloro-2-[3-[5-(difluoromethyl)-4-methylpyrazol-1-yl]piperidin-1-yl]phenol.

Molecular Properties

Compound Name4-chloro-2-[3-[5-(difluoromethyl)-4-methylpyrazol-1-yl]piperidin-1-yl]phenol
PubChem CID167106705
Molecular FormulaC16H18ClF2N3O
Molecular Weight341.79 g/mol
Exact Mass341.11
IUPAC Name4-chloro-2-[3-[5-(difluoromethyl)-4-methylpyrazol-1-yl]piperidin-1-yl]phenol
SMILESCc1cnn(C2CCCN(c3cc(Cl)ccc3O)C2)c1C(F)F
InChIInChI=1S/C16H18ClF2N3O/c1-10-8-20-22(15(10)16(18)19)12-3-2-6-21(9-12)13-7-11(17)4-5-14(13)23/h4-5,7-8,12,16,23H,2-3,6,9H2,1H3
InChIKeyCAQIPNSVBVFXCO-UHFFFAOYSA-N
XLogP4.33
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.79
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[4-[4-chloro-2-[3-[5-(difluoromethyl)-4-methylpyrazol-1-yl]piperidin-1-yl]phenyl]phenyl]piperazin-1-yl]-2-fluoro-2-methylpropan-1-one
CID 167104531
[4-[4-[4-chloro-2-[3-[5-(difluoromethyl)-4-methylpyrazol-1-yl]piperidin-1-yl]phenyl]phenyl]piperazin-1-yl]-(2,2-difluorocyclopropyl)methanone
CID 167104624
1-[5-chloro-2-[4-[3-(2-methylpropyl)imidazolidin-3-ium-1-yl]phenyl]phenyl]-3-[5-(difluoromethyl)-4-methylpyrazol-1-yl]piperidine;formic acid
CID 170611571
1-[4-[4-chloro-2-[3-[5-(difluoromethyl)-4-methylpyrazol-1-yl]piperidin-1-yl]phenyl]phenyl]-4-(spiro[2.2]pentan-2-ylmethyl)piperazine;formic acid
CID 163396894
[1-[1-[5-chloro-2-[1-methyl-2-(4-propylpiperazin-1-yl)-2H-pyridin-5-yl]phenyl]piperidin-3-yl]-5-(difluoromethyl)pyrazol-4-yl]methanediol
CID 167104589
bis(1-[1-[5-chloro-2-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]phenyl]piperidin-3-yl]-5-(difluoromethyl)pyrazole-4-carboxylic acid);1-[(3R)-1-[5-chloro-2-[4-[4-(2-methylpropyl)piperazin-1-yl]phenyl]phenyl]piperidin-3-yl]-5-(difluoromethyl)pyrazole-4-carboxylic acid;hydrochloride
CID 167539365
ethyl 1-[1-[5-chloro-2-[4-[4-(2,2-difluoroethyl)piperazin-1-yl]phenyl]phenyl]piperidin-3-yl]-5-(difluoromethyl)pyrazole-4-carboxylate
CID 163396841
1-[1-[5-chloro-2-[4-[4-(oxetan-3-yl)piperazin-1-yl]phenyl]phenyl]piperidin-3-yl]-5-(difluoromethyl)pyrazole-4-carboxylic acid
CID 163396812
1-[1-[5-chloro-2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]phenyl]piperidin-3-yl]-5-(difluoromethyl)pyrazole-4-carboxylic acid
CID 163396769
1-[1-[5-chloro-2-[4-(7-methyl-5-oxo-1,4-diazecan-1-yl)phenyl]phenyl]piperidin-3-yl]-5-(difluoromethyl)pyrazole-4-carboxylic acid
CID 167104570
1-[1-[5-chloro-2-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]phenyl]phenyl]piperidin-3-yl]-5-(difluoromethyl)pyrazole-4-carboxylic acid;hydrochloride
CID 163396839
1-[1-[5-chloro-2-[4-[4-(cyclopropylmethyl)piperazin-1-yl]phenyl]phenyl]piperidin-3-yl]-5-(difluoromethyl)pyrazole-4-carboxylic acid;hydrochloride
CID 163396768

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[3-[5-(difluoromethyl)-4-methylpyrazol-1-yl]piperidin-1-yl]phenol?
The IUPAC name of 4-chloro-2-[3-[5-(difluoromethyl)-4-methylpyrazol-1-yl]piperidin-1-yl]phenol (CID 167106705) is 4-chloro-2-[3-[5-(difluoromethyl)-4-methylpyrazol-1-yl]piperidin-1-yl]phenol.
What is the SMILES notation for 4-chloro-2-[3-[5-(difluoromethyl)-4-methylpyrazol-1-yl]piperidin-1-yl]phenol?
The canonical SMILES for 4-chloro-2-[3-[5-(difluoromethyl)-4-methylpyrazol-1-yl]piperidin-1-yl]phenol is Cc1cnn(C2CCCN(c3cc(Cl)ccc3O)C2)c1C(F)F.
What is the InChIKey of 4-chloro-2-[3-[5-(difluoromethyl)-4-methylpyrazol-1-yl]piperidin-1-yl]phenol?
The InChIKey is CAQIPNSVBVFXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClF2N3O/c1-10-8-20-22(15(10)16(18)19)12-3-2-6-21(9-12)13-7-11(17)4-5-14(13)23/h4-5,7-8,12,16,23H,2-3,6,9H2,1H3.
What are the key properties of 4-chloro-2-[3-[5-(difluoromethyl)-4-methylpyrazol-1-yl]piperidin-1-yl]phenol?
4-chloro-2-[3-[5-(difluoromethyl)-4-methylpyrazol-1-yl]piperidin-1-yl]phenol has a molecular weight of 341.79 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[3-[5-(difluoromethyl)-4-methylpyrazol-1-yl]piperidin-1-yl]phenol is sourced from PubChem (CID 167106705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).