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

C22H25FN6S — CID 42501251

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCCn1nc(C)c(CNc2nc(C)c(-c3ccn(Cc4cccc(F)c4)n3)s2)c1C
InChIInChI=1S/C22H25FN6S/c1-5-29-16(4)19(14(2)26-29)12-24-22-25-15(3)21(30-22)20-9-10-28(27-20)13-17-7-6-8-18(23)11-17/h6-11H,5,12-13H2,1-4H3,(H,24,25)
InChIKeyJMJGPLNYRBZADU-UHFFFAOYSA-N
MW424.55 g/mol
LogP4.95
Rot. Bonds7

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

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine (PubChem CID 42501251) has the molecular formula C22H25FN6S and a molecular weight of 424.55 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
PubChem CID42501251
Molecular FormulaC22H25FN6S
Molecular Weight424.55 g/mol
Exact Mass424.18
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
SMILESCCn1nc(C)c(CNc2nc(C)c(-c3ccn(Cc4cccc(F)c4)n3)s2)c1C
InChIInChI=1S/C22H25FN6S/c1-5-29-16(4)19(14(2)26-29)12-24-22-25-15(3)21(30-22)20-9-10-28(27-20)13-17-7-6-8-18(23)11-17/h6-11H,5,12-13H2,1-4H3,(H,24,25)
InChIKeyJMJGPLNYRBZADU-UHFFFAOYSA-N
XLogP4.95
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(3-fluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine
CID 25295196
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[1-(4-methoxyphenyl)pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine
CID 42369560
N-[(3,4-difluorophenyl)methyl]-4-methyl-5-[1-(thiophen-3-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine
CID 26336699
5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-N-(furan-3-ylmethyl)-4-methyl-1,3-thiazol-2-amine
CID 26354510
N-[(3,4-dimethoxyphenyl)methyl]-4-methyl-5-[1-(pyridin-4-ylmethyl)pyrazol-3-yl]-1,3-thiazol-2-amine
CID 26338269
5-[1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-N-[(2-methoxyphenyl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 26338246
5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 42500951
5-(1-benzylpyrazol-3-yl)-N-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 42472506
5-[1-(3-fluorophenyl)pyrazol-3-yl]-4-methyl-N-[(2,3,4-trimethoxyphenyl)methyl]-1,3-thiazol-2-amine
CID 26323593
(3S)-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(3-fluorophenyl)methyl]-6-oxopiperidine-3-carboxamide
CID 25308685
2-[4-[[2-(3-fluorophenyl)ethylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
CID 110905557
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine
CID 71971585

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine (CID 42501251) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine is CCn1nc(C)c(CNc2nc(C)c(-c3ccn(Cc4cccc(F)c4)n3)s2)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
The InChIKey is JMJGPLNYRBZADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6S/c1-5-29-16(4)19(14(2)26-29)12-24-22-25-15(3)21(30-22)20-9-10-28(27-20)13-17-7-6-8-18(23)11-17/h6-11H,5,12-13H2,1-4H3,(H,24,25).
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine has a molecular weight of 424.55 g/mol, XLogP of 4.95, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-5-[1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 42501251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).