4-amino-1-methyl-3-propylpyrazole-5-carboxamide;hydrochloride

C8H15ClN4O — CID 10220063

IUPAC4-amino-1-methyl-3-propylpyrazole-5-carboxamide;hydrochloride
SMILESCCCc1nn(C)c(C(N)=O)c1N.Cl
InChIInChI=1S/C8H14N4O.ClH/c1-3-4-5-6(9)7(8(10)13)12(2)11-5;/h3-4,9H2,1-2H3,(H2,10,13);1H
InChIKeyTWAOVUDRQJPVDF-UHFFFAOYSA-N
MW218.69 g/mol
LogP0.48
Rot. Bonds3

About 4-amino-1-methyl-3-propylpyrazole-5-carboxamide;hydrochloride

4-amino-1-methyl-3-propylpyrazole-5-carboxamide;hydrochloride (PubChem CID 10220063) has the molecular formula C8H15ClN4O and a molecular weight of 218.69 g/mol. Its IUPAC name is 4-amino-1-methyl-3-propylpyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-amino-1-methyl-3-propylpyrazole-5-carboxamide;hydrochloride
PubChem CID10220063
Molecular FormulaC8H15ClN4O
Molecular Weight218.69 g/mol
Exact Mass218.09
IUPAC Name4-amino-1-methyl-3-propylpyrazole-5-carboxamide;hydrochloride
SMILESCCCc1nn(C)c(C(N)=O)c1N.Cl
InChIInChI=1S/C8H14N4O.ClH/c1-3-4-5-6(9)7(8(10)13)12(2)11-5;/h3-4,9H2,1-2H3,(H2,10,13);1H
InChIKeyTWAOVUDRQJPVDF-UHFFFAOYSA-N
XLogP0.48
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-methyl-3-propylpyrazole-5-carboxamide;hydrochloride?
The IUPAC name of 4-amino-1-methyl-3-propylpyrazole-5-carboxamide;hydrochloride (CID 10220063) is 4-amino-1-methyl-3-propylpyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for 4-amino-1-methyl-3-propylpyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for 4-amino-1-methyl-3-propylpyrazole-5-carboxamide;hydrochloride is CCCc1nn(C)c(C(N)=O)c1N.Cl.
What is the InChIKey of 4-amino-1-methyl-3-propylpyrazole-5-carboxamide;hydrochloride?
The InChIKey is TWAOVUDRQJPVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O.ClH/c1-3-4-5-6(9)7(8(10)13)12(2)11-5;/h3-4,9H2,1-2H3,(H2,10,13);1H.
What are the key properties of 4-amino-1-methyl-3-propylpyrazole-5-carboxamide;hydrochloride?
4-amino-1-methyl-3-propylpyrazole-5-carboxamide;hydrochloride has a molecular weight of 218.69 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-methyl-3-propylpyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 10220063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).