3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine

C16H23FN4 — CID 114831216

IUPAC3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
SMILESCN(Cc1cnn(C)c1)C(C)(CN)Cc1cccc(F)c1
InChIInChI=1S/C16H23FN4/c1-16(12-18,8-13-5-4-6-15(17)7-13)20(2)10-14-9-19-21(3)11-14/h4-7,9,11H,8,10,12,18H2,1-3H3
InChIKeyXROOSMQSQIBHCO-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.95
Rot. Bonds6

About 3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine

3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine (PubChem CID 114831216) has the molecular formula C16H23FN4 and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
PubChem CID114831216
Molecular FormulaC16H23FN4
Molecular Weight290.39 g/mol
Exact Mass290.19
IUPAC Name3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
SMILESCN(Cc1cnn(C)c1)C(C)(CN)Cc1cccc(F)c1
InChIInChI=1S/C16H23FN4/c1-16(12-18,8-13-5-4-6-15(17)7-13)20(2)10-14-9-19-21(3)11-14/h4-7,9,11H,8,10,12,18H2,1-3H3
InChIKeyXROOSMQSQIBHCO-UHFFFAOYSA-N
XLogP1.95
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6,6,6-trifluoro-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine
CID 116535205
2-N-[3-(dimethylamino)propyl]-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831424
2-N-(cyclopentylmethyl)-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831415
2-benzyl-2-N-methyl-2-N-[(1-methylpyrazol-4-yl)methyl]butane-1,2-diamine
CID 79008921
[4-fluoro-2-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine
CID 64770261
3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-(oxan-4-ylmethyl)propane-1,2-diamine
CID 114831430
1-(3-fluorophenyl)-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-one
CID 62643371
2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-phenylpropane-1,2-diamine
CID 114831009
2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 114831044
2-N,2-N-dibutyl-3-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 114831034
[4-[[methyl-[(1-methylpyrazol-4-yl)methyl]amino]methyl]phenyl]methanamine
CID 61438389
[1-(3-fluorophenyl)-3-(1-methylpyrazol-4-yl)propan-2-yl]hydrazine
CID 105204779

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine?
The IUPAC name of 3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine (CID 114831216) is 3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine is CN(Cc1cnn(C)c1)C(C)(CN)Cc1cccc(F)c1.
What is the InChIKey of 3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine?
The InChIKey is XROOSMQSQIBHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN4/c1-16(12-18,8-13-5-4-6-15(17)7-13)20(2)10-14-9-19-21(3)11-14/h4-7,9,11H,8,10,12,18H2,1-3H3.
What are the key properties of 3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine?
3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine has a molecular weight of 290.39 g/mol, XLogP of 1.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 114831216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).