5-(methylamino)-1H-pyrazole-4-carboxamide;hydrochloride

C5H9ClN4O — CID 175742670

IUPAC5-(methylamino)-1H-pyrazole-4-carboxamide;hydrochloride
SMILESCNc1[nH]ncc1C(N)=O.Cl
InChIInChI=1S/C5H8N4O.ClH/c1-7-5-3(4(6)10)2-8-9-5;/h2H,1H3,(H2,6,10)(H2,7,8,9);1H
InChIKeyAAIWSDYNZWYEJY-UHFFFAOYSA-N
MW176.61 g/mol
LogP-0.03
Rot. Bonds2

About 5-(methylamino)-1H-pyrazole-4-carboxamide;hydrochloride

5-(methylamino)-1H-pyrazole-4-carboxamide;hydrochloride (PubChem CID 175742670) has the molecular formula C5H9ClN4O and a molecular weight of 176.61 g/mol. Its IUPAC name is 5-(methylamino)-1H-pyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-(methylamino)-1H-pyrazole-4-carboxamide;hydrochloride
PubChem CID175742670
Molecular FormulaC5H9ClN4O
Molecular Weight176.61 g/mol
Exact Mass176.05
IUPAC Name5-(methylamino)-1H-pyrazole-4-carboxamide;hydrochloride
SMILESCNc1[nH]ncc1C(N)=O.Cl
InChIInChI=1S/C5H8N4O.ClH/c1-7-5-3(4(6)10)2-8-9-5;/h2H,1H3,(H2,6,10)(H2,7,8,9);1H
InChIKeyAAIWSDYNZWYEJY-UHFFFAOYSA-N
XLogP-0.03
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.61
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(methylamino)-1H-pyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-(methylamino)-1H-pyrazole-4-carboxamide;hydrochloride (CID 175742670) is 5-(methylamino)-1H-pyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-(methylamino)-1H-pyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-(methylamino)-1H-pyrazole-4-carboxamide;hydrochloride is CNc1[nH]ncc1C(N)=O.Cl.
What is the InChIKey of 5-(methylamino)-1H-pyrazole-4-carboxamide;hydrochloride?
The InChIKey is AAIWSDYNZWYEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4O.ClH/c1-7-5-3(4(6)10)2-8-9-5;/h2H,1H3,(H2,6,10)(H2,7,8,9);1H.
What are the key properties of 5-(methylamino)-1H-pyrazole-4-carboxamide;hydrochloride?
5-(methylamino)-1H-pyrazole-4-carboxamide;hydrochloride has a molecular weight of 176.61 g/mol, XLogP of -0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylamino)-1H-pyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 175742670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).