4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyl-1H-pyrazole-3-carboxamide

C12H17N5OS — CID 55034071

IUPAC4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)Nc2nc(C)c(C)s2)c1N
InChIInChI=1S/C12H17N5OS/c1-4-5-8-9(13)10(17-16-8)11(18)15-12-14-6(2)7(3)19-12/h4-5,13H2,1-3H3,(H,16,17)(H,14,15,18)
InChIKeyOOTSPALUSUOUKU-UHFFFAOYSA-N
MW279.37 g/mol
LogP2.27
Rot. Bonds4

About 4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyl-1H-pyrazole-3-carboxamide

4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 55034071) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID55034071
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)Nc2nc(C)c(C)s2)c1N
InChIInChI=1S/C12H17N5OS/c1-4-5-8-9(13)10(17-16-8)11(18)15-12-14-6(2)7(3)19-12/h4-5,13H2,1-3H3,(H,16,17)(H,14,15,18)
InChIKeyOOTSPALUSUOUKU-UHFFFAOYSA-N
XLogP2.27
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyl-1H-pyrazole-3-carboxamide (CID 55034071) is 4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyl-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)Nc2nc(C)c(C)s2)c1N.
What is the InChIKey of 4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is OOTSPALUSUOUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-4-5-8-9(13)10(17-16-8)11(18)15-12-14-6(2)7(3)19-12/h4-5,13H2,1-3H3,(H,16,17)(H,14,15,18).
What are the key properties of 4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyl-1H-pyrazole-3-carboxamide?
4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 279.37 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 55034071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).