5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide

C23H20FN5O2S — CID 42471409

IUPAC5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-c2ccnc(-n3ncc(C(=O)NCc4ccsc4)c3C3CC3)n2)cc1F
InChIInChI=1S/C23H20FN5O2S/c1-31-20-5-4-16(10-18(20)24)19-6-8-25-23(28-19)29-21(15-2-3-15)17(12-27-29)22(30)26-11-14-7-9-32-13-14/h4-10,12-13,15H,2-3,11H2,1H3,(H,26,30)
InChIKeyPRNBGRAWLKQDSU-UHFFFAOYSA-N
MW449.51 g/mol
LogP4.35
Rot. Bonds7

About 5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide

5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide (PubChem CID 42471409) has the molecular formula C23H20FN5O2S and a molecular weight of 449.51 g/mol. Its IUPAC name is 5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide
PubChem CID42471409
Molecular FormulaC23H20FN5O2S
Molecular Weight449.51 g/mol
Exact Mass449.13
IUPAC Name5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide
SMILESCOc1ccc(-c2ccnc(-n3ncc(C(=O)NCc4ccsc4)c3C3CC3)n2)cc1F
InChIInChI=1S/C23H20FN5O2S/c1-31-20-5-4-16(10-18(20)24)19-6-8-25-23(28-19)29-21(15-2-3-15)17(12-27-29)22(30)26-11-14-7-9-32-13-14/h4-10,12-13,15H,2-3,11H2,1H3,(H,26,30)
InChIKeyPRNBGRAWLKQDSU-UHFFFAOYSA-N
XLogP4.35
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-[(4-methoxyphenyl)methyl]pyrazole-4-carboxamide
CID 42430643
5-cyclopropyl-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-N-(pyridin-2-ylmethyl)pyrazole-4-carboxamide
CID 42171058
5-cyclopropyl-N-(2-methoxyethyl)-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide
CID 26350870
5-cyclopropyl-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]-N-(2-methylpropyl)pyrazole-4-carboxamide
CID 42472887
5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-(3-methoxypropyl)pyrazole-4-carboxamide
CID 42423261
5-cyclopropyl-1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-N-(2-pyridin-2-ylethyl)pyrazole-4-carboxamide
CID 42480683
5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrazole-4-carboxamide
CID 26352463
1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(2-thiophen-2-ylethyl)pyrazole-4-carboxamide
CID 26360751
1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 42430014
1-[4-(1,3-benzodioxol-5-yl)pyrimidin-2-yl]-5-cyclopropyl-N-[(3-methoxyphenyl)methyl]-N-methylpyrazole-4-carboxamide
CID 42397350
N-[(3,4-dimethoxyphenyl)methyl]-5-(methoxymethyl)-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carboxamide
CID 42189410
5-cyclopropyl-N-(2-hydroxyethyl)-1-[4-(3-methoxyphenyl)pyrimidin-2-yl]-N-propan-2-ylpyrazole-4-carboxamide
CID 42472961

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide (CID 42471409) is 5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide is COc1ccc(-c2ccnc(-n3ncc(C(=O)NCc4ccsc4)c3C3CC3)n2)cc1F.
What is the InChIKey of 5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is PRNBGRAWLKQDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2S/c1-31-20-5-4-16(10-18(20)24)19-6-8-25-23(28-19)29-21(15-2-3-15)17(12-27-29)22(30)26-11-14-7-9-32-13-14/h4-10,12-13,15H,2-3,11H2,1H3,(H,26,30).
What are the key properties of 5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide?
5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 449.51 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(thiophen-3-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 42471409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).