1-(4-cyclopropylmorpholin-2-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine

C20H27FN4O — CID 119124710

IUPAC1-(4-cyclopropylmorpholin-2-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CNCC1CN(C2CC2)CCO1
InChIInChI=1S/C20H27FN4O/c1-14-20(15(2)25(23-14)18-5-3-16(21)4-6-18)12-22-11-19-13-24(9-10-26-19)17-7-8-17/h3-6,17,19,22H,7-13H2,1-2H3
InChIKeyOBAQYZFDFWSNRT-UHFFFAOYSA-N
MW358.46 g/mol
LogP2.58
Rot. Bonds6

About 1-(4-cyclopropylmorpholin-2-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine

1-(4-cyclopropylmorpholin-2-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine (PubChem CID 119124710) has the molecular formula C20H27FN4O and a molecular weight of 358.46 g/mol. Its IUPAC name is 1-(4-cyclopropylmorpholin-2-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine.

Molecular Properties

Compound Name1-(4-cyclopropylmorpholin-2-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine
PubChem CID119124710
Molecular FormulaC20H27FN4O
Molecular Weight358.46 g/mol
Exact Mass358.22
IUPAC Name1-(4-cyclopropylmorpholin-2-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CNCC1CN(C2CC2)CCO1
InChIInChI=1S/C20H27FN4O/c1-14-20(15(2)25(23-14)18-5-3-16(21)4-6-18)12-22-11-19-13-24(9-10-26-19)17-7-8-17/h3-6,17,19,22H,7-13H2,1-2H3
InChIKeyOBAQYZFDFWSNRT-UHFFFAOYSA-N
XLogP2.58
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 664813
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CID 45250010
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CID 75450948
CID 75450948
CID 177698833
CID 177698833
CID 49757305
CID 49757305
CID 49757306
CID 49757306
CID 91797198
CID 91797198
CID 1212265
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CID 9453827
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CID 28956817
CID 28956817

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropylmorpholin-2-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine?
The IUPAC name of 1-(4-cyclopropylmorpholin-2-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine (CID 119124710) is 1-(4-cyclopropylmorpholin-2-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine.
What is the SMILES notation for 1-(4-cyclopropylmorpholin-2-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine?
The canonical SMILES for 1-(4-cyclopropylmorpholin-2-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine is Cc1nn(-c2ccc(F)cc2)c(C)c1CNCC1CN(C2CC2)CCO1.
What is the InChIKey of 1-(4-cyclopropylmorpholin-2-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine?
The InChIKey is OBAQYZFDFWSNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O/c1-14-20(15(2)25(23-14)18-5-3-16(21)4-6-18)12-22-11-19-13-24(9-10-26-19)17-7-8-17/h3-6,17,19,22H,7-13H2,1-2H3.
What are the key properties of 1-(4-cyclopropylmorpholin-2-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine?
1-(4-cyclopropylmorpholin-2-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine has a molecular weight of 358.46 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropylmorpholin-2-yl)-N-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]methanamine is sourced from PubChem (CID 119124710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).