N-(5-chloro-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide

C7H5ClN4OS — CID 71864212

IUPACN-(5-chloro-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ncc(Cl)s1)c1ccn[nH]1
InChIInChI=1S/C7H5ClN4OS/c8-5-3-9-7(14-5)11-6(13)4-1-2-10-12-4/h1-3H,(H,10,12)(H,9,11,13)
InChIKeyUPADZLUUCMMKJN-UHFFFAOYSA-N
MW228.66 g/mol
LogP1.77
Rot. Bonds2

About N-(5-chloro-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide

N-(5-chloro-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide (PubChem CID 71864212) has the molecular formula C7H5ClN4OS and a molecular weight of 228.66 g/mol. Its IUPAC name is N-(5-chloro-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
PubChem CID71864212
Molecular FormulaC7H5ClN4OS
Molecular Weight228.66 g/mol
Exact Mass227.99
IUPAC NameN-(5-chloro-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ncc(Cl)s1)c1ccn[nH]1
InChIInChI=1S/C7H5ClN4OS/c8-5-3-9-7(14-5)11-6(13)4-1-2-10-12-4/h1-3H,(H,10,12)(H,9,11,13)
InChIKeyUPADZLUUCMMKJN-UHFFFAOYSA-N
XLogP1.77
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.66
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-(5-chloro-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide (CID 71864212) is N-(5-chloro-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(5-chloro-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(5-chloro-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide is O=C(Nc1ncc(Cl)s1)c1ccn[nH]1.
What is the InChIKey of N-(5-chloro-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is UPADZLUUCMMKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4OS/c8-5-3-9-7(14-5)11-6(13)4-1-2-10-12-4/h1-3H,(H,10,12)(H,9,11,13).
What are the key properties of N-(5-chloro-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide?
N-(5-chloro-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 228.66 g/mol, XLogP of 1.77, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 71864212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).