N-(2-aminoethyl)-1H-pyrazole-5-carboxamide;hydrochloride

C6H11ClN4O — CID 71758320

IUPACN-(2-aminoethyl)-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)c1ccn[nH]1
InChIInChI=1S/C6H10N4O.ClH/c7-2-4-8-6(11)5-1-3-9-10-5;/h1,3H,2,4,7H2,(H,8,11)(H,9,10);1H
InChIKeyMZOBGEVINMTNCA-UHFFFAOYSA-N
MW190.63 g/mol
LogP-0.48
Rot. Bonds3

About N-(2-aminoethyl)-1H-pyrazole-5-carboxamide;hydrochloride

N-(2-aminoethyl)-1H-pyrazole-5-carboxamide;hydrochloride (PubChem CID 71758320) has the molecular formula C6H11ClN4O and a molecular weight of 190.63 g/mol. Its IUPAC name is N-(2-aminoethyl)-1H-pyrazole-5-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-1H-pyrazole-5-carboxamide;hydrochloride
PubChem CID71758320
Molecular FormulaC6H11ClN4O
Molecular Weight190.63 g/mol
Exact Mass190.06
IUPAC NameN-(2-aminoethyl)-1H-pyrazole-5-carboxamide;hydrochloride
SMILESCl.NCCNC(=O)c1ccn[nH]1
InChIInChI=1S/C6H10N4O.ClH/c7-2-4-8-6(11)5-1-3-9-10-5;/h1,3H,2,4,7H2,(H,8,11)(H,9,10);1H
InChIKeyMZOBGEVINMTNCA-UHFFFAOYSA-N
XLogP-0.48
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1H-pyrazole-5-carboxamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-1H-pyrazole-5-carboxamide;hydrochloride (CID 71758320) is N-(2-aminoethyl)-1H-pyrazole-5-carboxamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-1H-pyrazole-5-carboxamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-1H-pyrazole-5-carboxamide;hydrochloride is Cl.NCCNC(=O)c1ccn[nH]1.
What is the InChIKey of N-(2-aminoethyl)-1H-pyrazole-5-carboxamide;hydrochloride?
The InChIKey is MZOBGEVINMTNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O.ClH/c7-2-4-8-6(11)5-1-3-9-10-5;/h1,3H,2,4,7H2,(H,8,11)(H,9,10);1H.
What are the key properties of N-(2-aminoethyl)-1H-pyrazole-5-carboxamide;hydrochloride?
N-(2-aminoethyl)-1H-pyrazole-5-carboxamide;hydrochloride has a molecular weight of 190.63 g/mol, XLogP of -0.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1H-pyrazole-5-carboxamide;hydrochloride is sourced from PubChem (CID 71758320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).