1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]methanamine

C17H22FN3S — CID 75258997

IUPAC1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]methanamine
SMILESCc1ccsc1CN(C)CC1CNNC1c1ccc(F)cc1
InChIInChI=1S/C17H22FN3S/c1-12-7-8-22-16(12)11-21(2)10-14-9-19-20-17(14)13-3-5-15(18)6-4-13/h3-8,14,17,19-20H,9-11H2,1-2H3
InChIKeyKEMBGIBDDSONEE-UHFFFAOYSA-N
MW319.45 g/mol
LogP3.09
Rot. Bonds5

About 1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]methanamine

1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]methanamine (PubChem CID 75258997) has the molecular formula C17H22FN3S and a molecular weight of 319.45 g/mol. Its IUPAC name is 1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]methanamine
PubChem CID75258997
Molecular FormulaC17H22FN3S
Molecular Weight319.45 g/mol
Exact Mass319.15
IUPAC Name1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]methanamine
SMILESCc1ccsc1CN(C)CC1CNNC1c1ccc(F)cc1
InChIInChI=1S/C17H22FN3S/c1-12-7-8-22-16(12)11-21(2)10-14-9-19-20-17(14)13-3-5-15(18)6-4-13/h3-8,14,17,19-20H,9-11H2,1-2H3
InChIKeyKEMBGIBDDSONEE-UHFFFAOYSA-N
XLogP3.09
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]methanamine with MolForge

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Related Compounds

2-Thenylamine, alpha-(m-fluorobenzyl)-N-isopropyl-, hydrochloride
CID 3062016
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2-Thenylamine, alpha-(p-fluorobenzyl)-N-isopropyl-, hydrochloride
CID 3062022
{[5-(4-Fluorophenyl)thiophen-2-yl]methyl}(propan-2-yl)amine
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{[5-(3-Fluorophenyl)thiophen-2-yl]methyl}(propan-2-yl)amine
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(3S)-1-[(2-fluorophenyl)methyl]-N-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-amine
CID 171359565
3-(RS)-(4-(4-fluorophenyl)piperidinylmethyl)-4-(RS)-(3-thienyl)pyrrolidine
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3-(S)-(4-(4-fluorophenyl)piperidinylmethyl)-4-(R)-(3-thienyl)pyrrolidine
CID 20694308
4-(4-fluorophenyl)-1-[[(3R,4R)-4-thiophen-3-ylpyrrolidin-3-yl]methyl]piperidine
CID 20694320
N-[(2-fluorophenyl)-thiophen-2-ylmethyl]-N-propan-2-ylpropan-1-amine
CID 67817049

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]methanamine?
The IUPAC name of 1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]methanamine (CID 75258997) is 1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]methanamine.
What is the SMILES notation for 1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]methanamine?
The canonical SMILES for 1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]methanamine is Cc1ccsc1CN(C)CC1CNNC1c1ccc(F)cc1.
What is the InChIKey of 1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]methanamine?
The InChIKey is KEMBGIBDDSONEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3S/c1-12-7-8-22-16(12)11-21(2)10-14-9-19-20-17(14)13-3-5-15(18)6-4-13/h3-8,14,17,19-20H,9-11H2,1-2H3.
What are the key properties of 1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]methanamine?
1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]methanamine has a molecular weight of 319.45 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluorophenyl)pyrazolidin-4-yl]-N-methyl-N-[(3-methylthiophen-2-yl)methyl]methanamine is sourced from PubChem (CID 75258997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).