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

C6H10N4O — CID 19621814

IUPACN-(2-aminoethyl)-1H-pyrazole-5-carboxamide
SMILESNCCNC(=O)c1ccn[nH]1
InChIInChI=1S/C6H10N4O/c7-2-4-8-6(11)5-1-3-9-10-5/h1,3H,2,4,7H2,(H,8,11)(H,9,10)
InChIKeyXSFIHYAUOWUPMB-UHFFFAOYSA-N
MW154.17 g/mol
LogP-0.90
Rot. Bonds3

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

N-(2-aminoethyl)-1H-pyrazole-5-carboxamide (PubChem CID 19621814) has the molecular formula C6H10N4O and a molecular weight of 154.17 g/mol. Its IUPAC name is N-(2-aminoethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1H-pyrazole-5-carboxamide
PubChem CID19621814
Molecular FormulaC6H10N4O
Molecular Weight154.17 g/mol
Exact Mass154.09
IUPAC NameN-(2-aminoethyl)-1H-pyrazole-5-carboxamide
SMILESNCCNC(=O)c1ccn[nH]1
InChIInChI=1S/C6H10N4O/c7-2-4-8-6(11)5-1-3-9-10-5/h1,3H,2,4,7H2,(H,8,11)(H,9,10)
InChIKeyXSFIHYAUOWUPMB-UHFFFAOYSA-N
XLogP-0.90
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 5-0.90
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?
The IUPAC name of N-(2-aminoethyl)-1H-pyrazole-5-carboxamide (CID 19621814) is N-(2-aminoethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1H-pyrazole-5-carboxamide is NCCNC(=O)c1ccn[nH]1.
What is the InChIKey of N-(2-aminoethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is XSFIHYAUOWUPMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O/c7-2-4-8-6(11)5-1-3-9-10-5/h1,3H,2,4,7H2,(H,8,11)(H,9,10).
What are the key properties of N-(2-aminoethyl)-1H-pyrazole-5-carboxamide?
N-(2-aminoethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 154.17 g/mol, XLogP of -0.90, 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 is sourced from PubChem (CID 19621814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).