4-(azetidine-1-carbonyl)-1-methyl-N-[2-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]pyrazole-5-carboxamide

C22H25N5O2S — CID 71288595

IUPAC4-(azetidine-1-carbonyl)-1-methyl-N-[2-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]pyrazole-5-carboxamide
SMILESCc1ccc(-c2nc(CCNC(=O)c3c(C(=O)N4CCC4)cnn3C)c(C)s2)cc1
InChIInChI=1S/C22H25N5O2S/c1-14-5-7-16(8-6-14)21-25-18(15(2)30-21)9-10-23-20(28)19-17(13-24-26(19)3)22(29)27-11-4-12-27/h5-8,13H,4,9-12H2,1-3H3,(H,23,28)
InChIKeyCBWTYTOFWKFICX-UHFFFAOYSA-N
MW423.54 g/mol
LogP2.98
Rot. Bonds6

About 4-(azetidine-1-carbonyl)-1-methyl-N-[2-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]pyrazole-5-carboxamide

4-(azetidine-1-carbonyl)-1-methyl-N-[2-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]pyrazole-5-carboxamide (PubChem CID 71288595) has the molecular formula C22H25N5O2S and a molecular weight of 423.54 g/mol. Its IUPAC name is 4-(azetidine-1-carbonyl)-1-methyl-N-[2-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-(azetidine-1-carbonyl)-1-methyl-N-[2-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]pyrazole-5-carboxamide
PubChem CID71288595
Molecular FormulaC22H25N5O2S
Molecular Weight423.54 g/mol
Exact Mass423.17
IUPAC Name4-(azetidine-1-carbonyl)-1-methyl-N-[2-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]pyrazole-5-carboxamide
SMILESCc1ccc(-c2nc(CCNC(=O)c3c(C(=O)N4CCC4)cnn3C)c(C)s2)cc1
InChIInChI=1S/C22H25N5O2S/c1-14-5-7-16(8-6-14)21-25-18(15(2)30-21)9-10-23-20(28)19-17(13-24-26(19)3)22(29)27-11-4-12-27/h5-8,13H,4,9-12H2,1-3H3,(H,23,28)
InChIKeyCBWTYTOFWKFICX-UHFFFAOYSA-N
XLogP2.98
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]pyrazole-5-carboxamide?
The IUPAC name of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]pyrazole-5-carboxamide (CID 71288595) is 4-(azetidine-1-carbonyl)-1-methyl-N-[2-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]pyrazole-5-carboxamide is Cc1ccc(-c2nc(CCNC(=O)c3c(C(=O)N4CCC4)cnn3C)c(C)s2)cc1.
What is the InChIKey of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]pyrazole-5-carboxamide?
The InChIKey is CBWTYTOFWKFICX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2S/c1-14-5-7-16(8-6-14)21-25-18(15(2)30-21)9-10-23-20(28)19-17(13-24-26(19)3)22(29)27-11-4-12-27/h5-8,13H,4,9-12H2,1-3H3,(H,23,28).
What are the key properties of 4-(azetidine-1-carbonyl)-1-methyl-N-[2-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]pyrazole-5-carboxamide?
4-(azetidine-1-carbonyl)-1-methyl-N-[2-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]pyrazole-5-carboxamide has a molecular weight of 423.54 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidine-1-carbonyl)-1-methyl-N-[2-[5-methyl-2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 71288595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).