1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-[(2R)-2-hydroxybutyl]-5-(methoxymethyl)pyrazole-4-carboxamide

C20H25N5O3S — CID 26360779

IUPAC1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-[(2R)-2-hydroxybutyl]-5-(methoxymethyl)pyrazole-4-carboxamide
SMILESCC[C@@H](O)CNC(=O)c1cnn(-c2nccc(-c3cc(C)sc3C)n2)c1COC
InChIInChI=1S/C20H25N5O3S/c1-5-14(26)9-22-19(27)16-10-23-25(18(16)11-28-4)20-21-7-6-17(24-20)15-8-12(2)29-13(15)3/h6-8,10,14,26H,5,9,11H2,1-4H3,(H,22,27)/t14-/m1/s1
InChIKeyUVHBUWKMLQDQAP-CQSZACIVSA-N
MW415.52 g/mol
LogP2.65
Rot. Bonds8

About 1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-[(2R)-2-hydroxybutyl]-5-(methoxymethyl)pyrazole-4-carboxamide

1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-[(2R)-2-hydroxybutyl]-5-(methoxymethyl)pyrazole-4-carboxamide (PubChem CID 26360779) has the molecular formula C20H25N5O3S and a molecular weight of 415.52 g/mol. Its IUPAC name is 1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-[(2R)-2-hydroxybutyl]-5-(methoxymethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-[(2R)-2-hydroxybutyl]-5-(methoxymethyl)pyrazole-4-carboxamide
PubChem CID26360779
Molecular FormulaC20H25N5O3S
Molecular Weight415.52 g/mol
Exact Mass415.17
IUPAC Name1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-[(2R)-2-hydroxybutyl]-5-(methoxymethyl)pyrazole-4-carboxamide
SMILESCC[C@@H](O)CNC(=O)c1cnn(-c2nccc(-c3cc(C)sc3C)n2)c1COC
InChIInChI=1S/C20H25N5O3S/c1-5-14(26)9-22-19(27)16-10-23-25(18(16)11-28-4)20-21-7-6-17(24-20)15-8-12(2)29-13(15)3/h6-8,10,14,26H,5,9,11H2,1-4H3,(H,22,27)/t14-/m1/s1
InChIKeyUVHBUWKMLQDQAP-CQSZACIVSA-N
XLogP2.65
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(2-pyridin-4-ylethyl)pyrazole-4-carboxamide
CID 118756483
1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)pyrazole-4-carboxamide
CID 26351023
1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide
CID 26322489
1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-methyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 26397232
5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-[(2S)-2-hydroxypropyl]pyrazole-4-carboxamide
CID 42482469
1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)-N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide
CID 45191257
[1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]-[(2S)-2-methylpiperidin-1-yl]methanone
CID 26399593
[1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-(methoxymethyl)pyrazol-4-yl]-(4-phenylpiperidin-1-yl)methanone
CID 42359038
ethyl 3-[[5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carbonyl]amino]propanoate
CID 26337146
1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-(2-hydroxy-2-phenylethyl)-N,5-dimethylpyrazole-4-carboxamide
CID 45165677
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
N-(furan-2-ylmethyl)-5-(methoxymethyl)-1-[4-(2-methoxyphenyl)pyrimidin-2-yl]pyrazole-4-carboxamide
CID 26340828

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-[(2R)-2-hydroxybutyl]-5-(methoxymethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-[(2R)-2-hydroxybutyl]-5-(methoxymethyl)pyrazole-4-carboxamide (CID 26360779) is 1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-[(2R)-2-hydroxybutyl]-5-(methoxymethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-[(2R)-2-hydroxybutyl]-5-(methoxymethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-[(2R)-2-hydroxybutyl]-5-(methoxymethyl)pyrazole-4-carboxamide is CC[C@@H](O)CNC(=O)c1cnn(-c2nccc(-c3cc(C)sc3C)n2)c1COC.
What is the InChIKey of 1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-[(2R)-2-hydroxybutyl]-5-(methoxymethyl)pyrazole-4-carboxamide?
The InChIKey is UVHBUWKMLQDQAP-CQSZACIVSA-N. The full InChI is InChI=1S/C20H25N5O3S/c1-5-14(26)9-22-19(27)16-10-23-25(18(16)11-28-4)20-21-7-6-17(24-20)15-8-12(2)29-13(15)3/h6-8,10,14,26H,5,9,11H2,1-4H3,(H,22,27)/t14-/m1/s1.
What are the key properties of 1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-[(2R)-2-hydroxybutyl]-5-(methoxymethyl)pyrazole-4-carboxamide?
1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-[(2R)-2-hydroxybutyl]-5-(methoxymethyl)pyrazole-4-carboxamide has a molecular weight of 415.52 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-N-[(2R)-2-hydroxybutyl]-5-(methoxymethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 26360779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).