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

C10H13N5OS — CID 63239036

IUPAC4-amino-5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCCc2nccs2)c1N
InChIInChI=1S/C10H13N5OS/c1-6-8(11)9(15-14-6)10(16)13-3-2-7-12-4-5-17-7/h4-5H,2-3,11H2,1H3,(H,13,16)(H,14,15)
InChIKeyVKEVQPNDSVZQSW-UHFFFAOYSA-N
MW251.31 g/mol
LogP0.73
Rot. Bonds4

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

4-amino-5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 63239036) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 4-amino-5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID63239036
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name4-amino-5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCCc2nccs2)c1N
InChIInChI=1S/C10H13N5OS/c1-6-8(11)9(15-14-6)10(16)13-3-2-7-12-4-5-17-7/h4-5H,2-3,11H2,1H3,(H,13,16)(H,14,15)
InChIKeyVKEVQPNDSVZQSW-UHFFFAOYSA-N
XLogP0.73
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide (CID 63239036) is 4-amino-5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NCCc2nccs2)c1N.
What is the InChIKey of 4-amino-5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is VKEVQPNDSVZQSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-6-8(11)9(15-14-6)10(16)13-3-2-7-12-4-5-17-7/h4-5H,2-3,11H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 4-amino-5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide?
4-amino-5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 0.73, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 63239036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).