1-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]-3-pyrrolidin-1-ylpropan-2-ol

C18H25FN4O — CID 110010260

IUPAC1-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCn1cc(C(NCC(O)CN2CCCC2)c2cccc(F)c2)cn1
InChIInChI=1S/C18H25FN4O/c1-22-12-15(10-21-22)18(14-5-4-6-16(19)9-14)20-11-17(24)13-23-7-2-3-8-23/h4-6,9-10,12,17-18,20,24H,2-3,7-8,11,13H2,1H3
InChIKeyHZLSHHRBGYPPNW-UHFFFAOYSA-N
MW332.42 g/mol
LogP1.69
Rot. Bonds7

About 1-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]-3-pyrrolidin-1-ylpropan-2-ol

1-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]-3-pyrrolidin-1-ylpropan-2-ol (PubChem CID 110010260) has the molecular formula C18H25FN4O and a molecular weight of 332.42 g/mol. Its IUPAC name is 1-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]-3-pyrrolidin-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
PubChem CID110010260
Molecular FormulaC18H25FN4O
Molecular Weight332.42 g/mol
Exact Mass332.20
IUPAC Name1-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]-3-pyrrolidin-1-ylpropan-2-ol
SMILESCn1cc(C(NCC(O)CN2CCCC2)c2cccc(F)c2)cn1
InChIInChI=1S/C18H25FN4O/c1-22-12-15(10-21-22)18(14-5-4-6-16(19)9-14)20-11-17(24)13-23-7-2-3-8-23/h4-6,9-10,12,17-18,20,24H,2-3,7-8,11,13H2,1H3
InChIKeyHZLSHHRBGYPPNW-UHFFFAOYSA-N
XLogP1.69
TPSA53.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]-3-pyrrolidin-1-ylpropan-2-ol?
The IUPAC name of 1-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]-3-pyrrolidin-1-ylpropan-2-ol (CID 110010260) is 1-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]-3-pyrrolidin-1-ylpropan-2-ol.
What is the SMILES notation for 1-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]-3-pyrrolidin-1-ylpropan-2-ol?
The canonical SMILES for 1-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]-3-pyrrolidin-1-ylpropan-2-ol is Cn1cc(C(NCC(O)CN2CCCC2)c2cccc(F)c2)cn1.
What is the InChIKey of 1-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]-3-pyrrolidin-1-ylpropan-2-ol?
The InChIKey is HZLSHHRBGYPPNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4O/c1-22-12-15(10-21-22)18(14-5-4-6-16(19)9-14)20-11-17(24)13-23-7-2-3-8-23/h4-6,9-10,12,17-18,20,24H,2-3,7-8,11,13H2,1H3.
What are the key properties of 1-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]-3-pyrrolidin-1-ylpropan-2-ol?
1-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]-3-pyrrolidin-1-ylpropan-2-ol has a molecular weight of 332.42 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-fluorophenyl)-(1-methylpyrazol-4-yl)methyl]amino]-3-pyrrolidin-1-ylpropan-2-ol is sourced from PubChem (CID 110010260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).