N-(2-aminoethyl)-N-ethyl-1H-pyrazole-4-carboxamide

C8H14N4O — CID 63085431

IUPACN-(2-aminoethyl)-N-ethyl-1H-pyrazole-4-carboxamide
SMILESCCN(CCN)C(=O)c1cn[nH]c1
InChIInChI=1S/C8H14N4O/c1-2-12(4-3-9)8(13)7-5-10-11-6-7/h5-6H,2-4,9H2,1H3,(H,10,11)
InChIKeyGNLWGMPEKOEFNQ-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.17
Rot. Bonds4

About N-(2-aminoethyl)-N-ethyl-1H-pyrazole-4-carboxamide

N-(2-aminoethyl)-N-ethyl-1H-pyrazole-4-carboxamide (PubChem CID 63085431) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-ethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-ethyl-1H-pyrazole-4-carboxamide
PubChem CID63085431
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC NameN-(2-aminoethyl)-N-ethyl-1H-pyrazole-4-carboxamide
SMILESCCN(CCN)C(=O)c1cn[nH]c1
InChIInChI=1S/C8H14N4O/c1-2-12(4-3-9)8(13)7-5-10-11-6-7/h5-6H,2-4,9H2,1H3,(H,10,11)
InChIKeyGNLWGMPEKOEFNQ-UHFFFAOYSA-N
XLogP-0.17
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(dimethylamino)propyl]-N-ethyl-1H-pyrazole-4-carboxamide
CID 102978931
N-ethyl-N-prop-2-ynyl-1H-pyrazole-4-carboxamide
CID 78975317
N-(cyclopropylmethyl)-N-ethyl-1H-pyrazole-4-carboxamide
CID 63938903
N,N-bis(2-methoxyethyl)-1H-pyrazole-4-carboxamide
CID 43533016
N,N-bis(2-amino-2-oxoethyl)-1H-pyrazole-4-carboxamide
CID 62923169
N,N-bis[3-(dimethylamino)propyl]-1H-pyrazole-4-carboxamide
CID 60959519
N-[2-(methylamino)-2-oxoethyl]-N-propyl-1H-pyrazole-4-carboxamide
CID 61041491
N-(2-aminoethyl)-N-ethyl-3,5-dimethoxybenzamide
CID 28707665
N-[4-(aminomethyl)phenyl]-N-ethyl-1H-pyrazole-4-carboxamide
CID 63085264
N-[4-(aminomethyl)phenyl]-N-propyl-1H-pyrazole-4-carboxamide
CID 63085420
N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 63701216
1-(1H-pyrazol-4-yl)propan-1-one
CID 59363533

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-ethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-ethyl-1H-pyrazole-4-carboxamide (CID 63085431) is N-(2-aminoethyl)-N-ethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-ethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-ethyl-1H-pyrazole-4-carboxamide is CCN(CCN)C(=O)c1cn[nH]c1.
What is the InChIKey of N-(2-aminoethyl)-N-ethyl-1H-pyrazole-4-carboxamide?
The InChIKey is GNLWGMPEKOEFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-2-12(4-3-9)8(13)7-5-10-11-6-7/h5-6H,2-4,9H2,1H3,(H,10,11).
What are the key properties of N-(2-aminoethyl)-N-ethyl-1H-pyrazole-4-carboxamide?
N-(2-aminoethyl)-N-ethyl-1H-pyrazole-4-carboxamide has a molecular weight of 182.23 g/mol, XLogP of -0.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-ethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 63085431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).