[5-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(1-methylimidazol-2-yl)methanol

C18H19ClFN5O — CID 90653014

IUPAC[5-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)c1cc2n(n1)CCN(Cc1ccc(F)cc1Cl)C2
InChIInChI=1S/C18H19ClFN5O/c1-23-5-4-21-18(23)17(26)16-9-14-11-24(6-7-25(14)22-16)10-12-2-3-13(20)8-15(12)19/h2-5,8-9,17,26H,6-7,10-11H2,1H3
InChIKeyWKIMOSRVUNAAEY-UHFFFAOYSA-N
MW375.84 g/mol
LogP2.51
Rot. Bonds4

About [5-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(1-methylimidazol-2-yl)methanol

[5-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(1-methylimidazol-2-yl)methanol (PubChem CID 90653014) has the molecular formula C18H19ClFN5O and a molecular weight of 375.84 g/mol. Its IUPAC name is [5-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(1-methylimidazol-2-yl)methanol.

Molecular Properties

Compound Name[5-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(1-methylimidazol-2-yl)methanol
PubChem CID90653014
Molecular FormulaC18H19ClFN5O
Molecular Weight375.84 g/mol
Exact Mass375.13
IUPAC Name[5-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(1-methylimidazol-2-yl)methanol
SMILESCn1ccnc1C(O)c1cc2n(n1)CCN(Cc1ccc(F)cc1Cl)C2
InChIInChI=1S/C18H19ClFN5O/c1-23-5-4-21-18(23)17(26)16-9-14-11-24(6-7-25(14)22-16)10-12-2-3-13(20)8-15(12)19/h2-5,8-9,17,26H,6-7,10-11H2,1H3
InChIKeyWKIMOSRVUNAAEY-UHFFFAOYSA-N
XLogP2.51
TPSA59.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.84
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(1-methylimidazol-2-yl)methanol with MolForge

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Related Compounds

[1-[(2-chloro-4-fluorophenyl)methyl]piperidin-4-yl]-(1-methylimidazol-2-yl)methanol
CID 77078802
3-[5-[(5-fluoro-2-methylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-3-hydroxy-N,N-dimethylpropanamide
CID 90650539
7-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 100765296
[5-[(5-methyl-1-propylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(2-methylpyrazol-3-yl)methanol
CID 91786319
4-chloro-2-[[4-[2-fluoro-6-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]phenyl]piperazin-1-yl]methyl]phenol
CID 92567310
(1R)-1-[5-[(1-benzylimidazol-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propan-1-ol
CID 99974613
(S)-(4-fluorophenyl)-(1-methylimidazol-2-yl)methanol
CID 26722436
(3-chloro-4-methylphenyl)-(1-methylimidazol-2-yl)methanol
CID 63195009
1-[(2-chloro-4-fluorophenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine
CID 45366948
2-(3-fluorophenyl)-1-(1-methylimidazol-2-yl)ethanol
CID 63976213
(1R)-1-[5-[(2-chloro-5-fluorophenyl)methylsulfonyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]ethanol
CID 99989612
[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-(1-ethylpyrazol-3-yl)methanone
CID 19279205

Frequently Asked Questions

What is the IUPAC name of [5-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(1-methylimidazol-2-yl)methanol?
The IUPAC name of [5-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(1-methylimidazol-2-yl)methanol (CID 90653014) is [5-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(1-methylimidazol-2-yl)methanol.
What is the SMILES notation for [5-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(1-methylimidazol-2-yl)methanol?
The canonical SMILES for [5-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(1-methylimidazol-2-yl)methanol is Cn1ccnc1C(O)c1cc2n(n1)CCN(Cc1ccc(F)cc1Cl)C2.
What is the InChIKey of [5-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(1-methylimidazol-2-yl)methanol?
The InChIKey is WKIMOSRVUNAAEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN5O/c1-23-5-4-21-18(23)17(26)16-9-14-11-24(6-7-25(14)22-16)10-12-2-3-13(20)8-15(12)19/h2-5,8-9,17,26H,6-7,10-11H2,1H3.
What are the key properties of [5-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(1-methylimidazol-2-yl)methanol?
[5-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(1-methylimidazol-2-yl)methanol has a molecular weight of 375.84 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-chloro-4-fluorophenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(1-methylimidazol-2-yl)methanol is sourced from PubChem (CID 90653014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).