N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine

C22H23FN4OS — CID 25481436

IUPACN-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
SMILESCc1ccc(-c2nn(-c3cccc(F)c3)cc2CNCCCc2scnc2C)o1
InChIInChI=1S/C22H23FN4OS/c1-15-8-9-20(28-15)22-17(12-24-10-4-7-21-16(2)25-14-29-21)13-27(26-22)19-6-3-5-18(23)11-19/h3,5-6,8-9,11,13-14,24H,4,7,10,12H2,1-2H3
InChIKeyOFTZHQUUUHHKJZ-UHFFFAOYSA-N
MW410.52 g/mol
LogP5.07
Rot. Bonds8

About N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine

N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine (PubChem CID 25481436) has the molecular formula C22H23FN4OS and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine.

Molecular Properties

Compound NameN-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
PubChem CID25481436
Molecular FormulaC22H23FN4OS
Molecular Weight410.52 g/mol
Exact Mass410.16
IUPAC NameN-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine
SMILESCc1ccc(-c2nn(-c3cccc(F)c3)cc2CNCCCc2scnc2C)o1
InChIInChI=1S/C22H23FN4OS/c1-15-8-9-20(28-15)22-17(12-24-10-4-7-21-16(2)25-14-29-21)13-27(26-22)19-6-3-5-18(23)11-19/h3,5-6,8-9,11,13-14,24H,4,7,10,12H2,1-2H3
InChIKeyOFTZHQUUUHHKJZ-UHFFFAOYSA-N
XLogP5.07
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.52
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 68062382
N-(3-fluoro-4-pyridinyl)-5-[3-(furan-2-yl)-1-methylpyrazol-5-yl]thiophene-2-carboxamide
CID 68062384
4-(1-Benzofuran-2-yl)-2-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-1,3-thiazole
CID 2370900
(Z)-2-(1,3-benzothiazol-2-yl)-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]-1-phenylprop-2-en-1-one
CID 6023798
1-[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)-1H-pyrazol-4-yl]-N-(3-pyridinylmethyl)methanamine
CID 16189085
1-[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)-1H-pyrazol-4-yl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]methanamine
CID 70783527
(E)-2-cyano-N-[4-(difluoromethylsulfanyl)phenyl]-3-[3-(5-methylfuran-2-yl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 2318258
N-[[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl]-2-(4-methylpyrazol-1-yl)ethanamine
CID 53622378
N-{[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)-1H-pyrazol-4-yl]methyl}-2-(2-furyl)ethanamine
CID 28312782
5-[1-(4-fluorobenzyl)-1H-pyrazol-3-yl]-N-(2-furylmethyl)-4-methyl-1,3-thiazol-2-amine
CID 42452094
N-{[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)-1H-pyrazol-4-yl]methyl}-N-methyl-1-(1,3-thiazol-2-yl)ethanamine
CID 45198190

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine?
The IUPAC name of N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine (CID 25481436) is N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine.
What is the SMILES notation for N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine?
The canonical SMILES for N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine is Cc1ccc(-c2nn(-c3cccc(F)c3)cc2CNCCCc2scnc2C)o1.
What is the InChIKey of N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine?
The InChIKey is OFTZHQUUUHHKJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4OS/c1-15-8-9-20(28-15)22-17(12-24-10-4-7-21-16(2)25-14-29-21)13-27(26-22)19-6-3-5-18(23)11-19/h3,5-6,8-9,11,13-14,24H,4,7,10,12H2,1-2H3.
What are the key properties of N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine?
N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine has a molecular weight of 410.52 g/mol, XLogP of 5.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-amine is sourced from PubChem (CID 25481436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).