(S)-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

C20H23F2N5O — CID 124851170

IUPAC(S)-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1[C@@H](O)C1CCN(Cc2ccn(-c3ccc(F)cc3F)n2)CC1
InChIInChI=1S/C20H23F2N5O/c1-25-11-7-23-20(25)19(28)14-4-8-26(9-5-14)13-16-6-10-27(24-16)18-3-2-15(21)12-17(18)22/h2-3,6-7,10-12,14,19,28H,4-5,8-9,13H2,1H3/t19-/m0/s1
InChIKeyRWJQQKXSJPGMFV-IBGZPJMESA-N
MW387.43 g/mol
LogP2.83
Rot. Bonds5

About (S)-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol

(S)-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (PubChem CID 124851170) has the molecular formula C20H23F2N5O and a molecular weight of 387.43 g/mol. Its IUPAC name is (S)-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(S)-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
PubChem CID124851170
Molecular FormulaC20H23F2N5O
Molecular Weight387.43 g/mol
Exact Mass387.19
IUPAC Name(S)-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1[C@@H](O)C1CCN(Cc2ccn(-c3ccc(F)cc3F)n2)CC1
InChIInChI=1S/C20H23F2N5O/c1-25-11-7-23-20(25)19(28)14-4-8-26(9-5-14)13-16-6-10-27(24-16)18-3-2-15(21)12-17(18)22/h2-3,6-7,10-12,14,19,28H,4-5,8-9,13H2,1H3/t19-/m0/s1
InChIKeyRWJQQKXSJPGMFV-IBGZPJMESA-N
XLogP2.83
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (S)-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of (S)-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol (CID 124851170) is (S)-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for (S)-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for (S)-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is Cn1ccnc1[C@@H](O)C1CCN(Cc2ccn(-c3ccc(F)cc3F)n2)CC1.
What is the InChIKey of (S)-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is RWJQQKXSJPGMFV-IBGZPJMESA-N. The full InChI is InChI=1S/C20H23F2N5O/c1-25-11-7-23-20(25)19(28)14-4-8-26(9-5-14)13-16-6-10-27(24-16)18-3-2-15(21)12-17(18)22/h2-3,6-7,10-12,14,19,28H,4-5,8-9,13H2,1H3/t19-/m0/s1.
What are the key properties of (S)-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol?
(S)-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 387.43 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-[1-[[1-(2,4-difluorophenyl)pyrazol-3-yl]methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 124851170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).