3-(1,5-dimethylpyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide

C16H20N6OS — CID 56870029

IUPAC3-(1,5-dimethylpyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCc1nc(CCNC(=O)c2cc(-c3cnn(C)c3C)n[nH]2)sc1C
InChIInChI=1S/C16H20N6OS/c1-9-11(3)24-15(19-9)5-6-17-16(23)14-7-13(20-21-14)12-8-18-22(4)10(12)2/h7-8H,5-6H2,1-4H3,(H,17,23)(H,20,21)
InChIKeyUHCBSHARDHFMQQ-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.16
Rot. Bonds5

About 3-(1,5-dimethylpyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide

3-(1,5-dimethylpyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 56870029) has the molecular formula C16H20N6OS and a molecular weight of 344.44 g/mol. Its IUPAC name is 3-(1,5-dimethylpyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(1,5-dimethylpyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID56870029
Molecular FormulaC16H20N6OS
Molecular Weight344.44 g/mol
Exact Mass344.14
IUPAC Name3-(1,5-dimethylpyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCc1nc(CCNC(=O)c2cc(-c3cnn(C)c3C)n[nH]2)sc1C
InChIInChI=1S/C16H20N6OS/c1-9-11(3)24-15(19-9)5-6-17-16(23)14-7-13(20-21-14)12-8-18-22(4)10(12)2/h7-8H,5-6H2,1-4H3,(H,17,23)(H,20,21)
InChIKeyUHCBSHARDHFMQQ-UHFFFAOYSA-N
XLogP2.16
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(1,5-dimethylpyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide (CID 56870029) is 3-(1,5-dimethylpyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(1,5-dimethylpyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(1,5-dimethylpyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide is Cc1nc(CCNC(=O)c2cc(-c3cnn(C)c3C)n[nH]2)sc1C.
What is the InChIKey of 3-(1,5-dimethylpyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is UHCBSHARDHFMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6OS/c1-9-11(3)24-15(19-9)5-6-17-16(23)14-7-13(20-21-14)12-8-18-22(4)10(12)2/h7-8H,5-6H2,1-4H3,(H,17,23)(H,20,21).
What are the key properties of 3-(1,5-dimethylpyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide?
3-(1,5-dimethylpyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,5-dimethylpyrazol-4-yl)-N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 56870029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).