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

C12H15N5O2S — CID 64572432

IUPACN-(4-acetyl-1,3-thiazol-2-yl)-4-amino-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)Nc2nc(C(C)=O)cs2)c1N
InChIInChI=1S/C12H15N5O2S/c1-3-4-7-9(13)10(17-16-7)11(19)15-12-14-8(5-20-12)6(2)18/h5H,3-4,13H2,1-2H3,(H,16,17)(H,14,15,19)
InChIKeyNHQMEYWWFXAAHB-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.86
Rot. Bonds5

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

N-(4-acetyl-1,3-thiazol-2-yl)-4-amino-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 64572432) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-(4-acetyl-1,3-thiazol-2-yl)-4-amino-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetyl-1,3-thiazol-2-yl)-4-amino-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID64572432
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC NameN-(4-acetyl-1,3-thiazol-2-yl)-4-amino-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1[nH]nc(C(=O)Nc2nc(C(C)=O)cs2)c1N
InChIInChI=1S/C12H15N5O2S/c1-3-4-7-9(13)10(17-16-7)11(19)15-12-14-8(5-20-12)6(2)18/h5H,3-4,13H2,1-2H3,(H,16,17)(H,14,15,19)
InChIKeyNHQMEYWWFXAAHB-UHFFFAOYSA-N
XLogP1.86
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(4-amino-5-propyl-1H-pyrazole-3-carbonyl)amino]thiophene-2-carboxylate
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4-amino-5-propyl-N-[1-(1H-pyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-4-amino-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(4-acetyl-1,3-thiazol-2-yl)-4-amino-5-propyl-1H-pyrazole-3-carboxamide (CID 64572432) is N-(4-acetyl-1,3-thiazol-2-yl)-4-amino-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-acetyl-1,3-thiazol-2-yl)-4-amino-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(4-acetyl-1,3-thiazol-2-yl)-4-amino-5-propyl-1H-pyrazole-3-carboxamide is CCCc1[nH]nc(C(=O)Nc2nc(C(C)=O)cs2)c1N.
What is the InChIKey of N-(4-acetyl-1,3-thiazol-2-yl)-4-amino-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is NHQMEYWWFXAAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-3-4-7-9(13)10(17-16-7)11(19)15-12-14-8(5-20-12)6(2)18/h5H,3-4,13H2,1-2H3,(H,16,17)(H,14,15,19).
What are the key properties of N-(4-acetyl-1,3-thiazol-2-yl)-4-amino-5-propyl-1H-pyrazole-3-carboxamide?
N-(4-acetyl-1,3-thiazol-2-yl)-4-amino-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 293.35 g/mol, XLogP of 1.86, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetyl-1,3-thiazol-2-yl)-4-amino-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 64572432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).