N-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide

C9H16N4O — CID 66120701

IUPACN-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCCN)n(C)n1
InChIInChI=1S/C9H16N4O/c1-3-7-6-8(13(2)12-7)9(14)11-5-4-10/h6H,3-5,10H2,1-2H3,(H,11,14)
InChIKeyBARPCZMEIKRRDE-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.33
Rot. Bonds4

About N-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide

N-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 66120701) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID66120701
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCCN)n(C)n1
InChIInChI=1S/C9H16N4O/c1-3-7-6-8(13(2)12-7)9(14)11-5-4-10/h6H,3-5,10H2,1-2H3,(H,11,14)
InChIKeyBARPCZMEIKRRDE-UHFFFAOYSA-N
XLogP-0.33
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

LmCPB-IN-1
CID 145974244
N-cycloheptyl-1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 1236015
1-ethyl-5-methyl-N-phenyl-1H-pyrazole-3-carboxamide
CID 25855841
N,3-ditert-butyl-1-pentylpyrazole-5-carboxamide
CID 141747275
3-tert-butyl-N-[(2S)-1-[(1-cyanocyclopropyl)amino]-4-methyl-1-oxopentan-2-yl]-1-methylpyrazole-5-carboxamide
CID 162660749
3-tert-butyl-N-[(2S)-1-(cyanomethylamino)-4-methyl-1-oxopentan-2-yl]-1-methylpyrazole-5-carboxamide
CID 162665461
methyl (2R)-2-[(5-tert-butyl-1-pentylpyrazole-3-carbonyl)amino]-3,3-dimethylbutanoate
CID 162667765
N,5-ditert-butyl-1-pentylpyrazole-3-carboxamide
CID 162668036
methyl (2S)-2-[(5-tert-butyl-1-pentylpyrazole-3-carbonyl)amino]-3-methylbutanoate
CID 162668127
1-butyl-5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)pyrazole-3-carboxamide
CID 162668450
3-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-5-carboxamide
CID 162671856
N-(1-hydroxy-2-methylpropan-2-yl)-1-pentyl-5-propan-2-ylpyrazole-3-carboxamide
CID 162672197

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide (CID 66120701) is N-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)NCCN)n(C)n1.
What is the InChIKey of N-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is BARPCZMEIKRRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-3-7-6-8(13(2)12-7)9(14)11-5-4-10/h6H,3-5,10H2,1-2H3,(H,11,14).
What are the key properties of N-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
N-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 196.25 g/mol, XLogP of -0.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66120701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).