[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone

C16H20F3N5O2 — CID 125166057

IUPAC[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
SMILESCn1ccnc1[C@@H](O)C1CCN(C(=O)c2cc(C(F)(F)F)n(C)n2)CC1
InChIInChI=1S/C16H20F3N5O2/c1-22-8-5-20-14(22)13(25)10-3-6-24(7-4-10)15(26)11-9-12(16(17,18)19)23(2)21-11/h5,8-10,13,25H,3-4,6-7H2,1-2H3/t13-/m0/s1
InChIKeyMRIHCMZKJUUCLX-ZDUSSCGKSA-N
MW371.36 g/mol
LogP1.76
Rot. Bonds3

About [4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone

[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone (PubChem CID 125166057) has the molecular formula C16H20F3N5O2 and a molecular weight of 371.36 g/mol. Its IUPAC name is [4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
PubChem CID125166057
Molecular FormulaC16H20F3N5O2
Molecular Weight371.36 g/mol
Exact Mass371.16
IUPAC Name[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
SMILESCn1ccnc1[C@@H](O)C1CCN(C(=O)c2cc(C(F)(F)F)n(C)n2)CC1
InChIInChI=1S/C16H20F3N5O2/c1-22-8-5-20-14(22)13(25)10-3-6-24(7-4-10)15(26)11-9-12(16(17,18)19)23(2)21-11/h5,8-10,13,25H,3-4,6-7H2,1-2H3/t13-/m0/s1
InChIKeyMRIHCMZKJUUCLX-ZDUSSCGKSA-N
XLogP1.76
TPSA76.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
The IUPAC name of [4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone (CID 125166057) is [4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone.
What is the SMILES notation for [4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
The canonical SMILES for [4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone is Cn1ccnc1[C@@H](O)C1CCN(C(=O)c2cc(C(F)(F)F)n(C)n2)CC1.
What is the InChIKey of [4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
The InChIKey is MRIHCMZKJUUCLX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20F3N5O2/c1-22-8-5-20-14(22)13(25)10-3-6-24(7-4-10)15(26)11-9-12(16(17,18)19)23(2)21-11/h5,8-10,13,25H,3-4,6-7H2,1-2H3/t13-/m0/s1.
What are the key properties of [4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone?
[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone has a molecular weight of 371.36 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone is sourced from PubChem (CID 125166057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).