4-amino-5-methyl-N-(1-oxothian-4-yl)-1H-pyrazole-3-carboxamide

C10H16N4O2S — CID 113479631

IUPAC4-amino-5-methyl-N-(1-oxothian-4-yl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NC2CCS(=O)CC2)c1N
InChIInChI=1S/C10H16N4O2S/c1-6-8(11)9(14-13-6)10(15)12-7-2-4-17(16)5-3-7/h7H,2-5,11H2,1H3,(H,12,15)(H,13,14)
InChIKeyXPNOUGCNSRJBMK-UHFFFAOYSA-N
MW256.33 g/mol
LogP-0.06
Rot. Bonds2

About 4-amino-5-methyl-N-(1-oxothian-4-yl)-1H-pyrazole-3-carboxamide

4-amino-5-methyl-N-(1-oxothian-4-yl)-1H-pyrazole-3-carboxamide (PubChem CID 113479631) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 4-amino-5-methyl-N-(1-oxothian-4-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-methyl-N-(1-oxothian-4-yl)-1H-pyrazole-3-carboxamide
PubChem CID113479631
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name4-amino-5-methyl-N-(1-oxothian-4-yl)-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NC2CCS(=O)CC2)c1N
InChIInChI=1S/C10H16N4O2S/c1-6-8(11)9(14-13-6)10(15)12-7-2-4-17(16)5-3-7/h7H,2-5,11H2,1H3,(H,12,15)(H,13,14)
InChIKeyXPNOUGCNSRJBMK-UHFFFAOYSA-N
XLogP-0.06
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 62081203
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CID 62082306
4-amino-N-[1-(cyclopropylamino)-1-oxopropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 113406538
4-amino-N-(3-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 64747408
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CID 62305249
4-amino-5-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 114514855
4-amino-5-methyl-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1H-pyrazole-3-carboxamide
CID 80715751
4-amino-N-(2-hydroxyethyl)-5-methyl-1H-pyrazole-3-carboxamide
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4-amino-5-methyl-N-(2-methylsulfonylethyl)-1H-pyrazole-3-carboxamide
CID 62082279
4-amino-5-methyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)-1H-pyrazole-3-carboxamide
CID 62083352
N-[1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]cyclopropanecarboxamide
CID 62081242
4-amino-5-methyl-N-(oxan-4-ylmethyl)-1H-pyrazole-3-carboxamide
CID 63727436

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-methyl-N-(1-oxothian-4-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-methyl-N-(1-oxothian-4-yl)-1H-pyrazole-3-carboxamide (CID 113479631) is 4-amino-5-methyl-N-(1-oxothian-4-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-methyl-N-(1-oxothian-4-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-methyl-N-(1-oxothian-4-yl)-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NC2CCS(=O)CC2)c1N.
What is the InChIKey of 4-amino-5-methyl-N-(1-oxothian-4-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is XPNOUGCNSRJBMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c1-6-8(11)9(14-13-6)10(15)12-7-2-4-17(16)5-3-7/h7H,2-5,11H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 4-amino-5-methyl-N-(1-oxothian-4-yl)-1H-pyrazole-3-carboxamide?
4-amino-5-methyl-N-(1-oxothian-4-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 256.33 g/mol, XLogP of -0.06, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-methyl-N-(1-oxothian-4-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 113479631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).