[1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine

C18H25FN4 — CID 120781124

IUPAC[1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC(C)(CN)C1
InChIInChI=1S/C18H25FN4/c1-13-17(10-22-9-8-18(3,11-20)12-22)14(2)23(21-13)16-6-4-15(19)5-7-16/h4-7H,8-12,20H2,1-3H3
InChIKeyGFTLUUPUNMSSSN-UHFFFAOYSA-N
MW316.42 g/mol
LogP2.80
Rot. Bonds4

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

[1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine (PubChem CID 120781124) has the molecular formula C18H25FN4 and a molecular weight of 316.42 g/mol. Its IUPAC name is [1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
PubChem CID120781124
Molecular FormulaC18H25FN4
Molecular Weight316.42 g/mol
Exact Mass316.21
IUPAC Name[1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine
SMILESCc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC(C)(CN)C1
InChIInChI=1S/C18H25FN4/c1-13-17(10-22-9-8-18(3,11-20)12-22)14(2)23(21-13)16-6-4-15(19)5-7-16/h4-7H,8-12,20H2,1-3H3
InChIKeyGFTLUUPUNMSSSN-UHFFFAOYSA-N
XLogP2.80
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine?
The IUPAC name of [1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine (CID 120781124) is [1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine is Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CCC(C)(CN)C1.
What is the InChIKey of [1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine?
The InChIKey is GFTLUUPUNMSSSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN4/c1-13-17(10-22-9-8-18(3,11-20)12-22)14(2)23(21-13)16-6-4-15(19)5-7-16/h4-7H,8-12,20H2,1-3H3.
What are the key properties of [1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine?
[1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine has a molecular weight of 316.42 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-methylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 120781124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).