N-(2-aminoethyl)-1,4-dimethylpyrazole-3-carboxamide

C8H14N4O — CID 83617588

IUPACN-(2-aminoethyl)-1,4-dimethylpyrazole-3-carboxamide
SMILESCc1cn(C)nc1C(=O)NCCN
InChIInChI=1S/C8H14N4O/c1-6-5-12(2)11-7(6)8(13)10-4-3-9/h5H,3-4,9H2,1-2H3,(H,10,13)
InChIKeyBMZSMVPDODCGQI-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.58
Rot. Bonds3

About N-(2-aminoethyl)-1,4-dimethylpyrazole-3-carboxamide

N-(2-aminoethyl)-1,4-dimethylpyrazole-3-carboxamide (PubChem CID 83617588) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is N-(2-aminoethyl)-1,4-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1,4-dimethylpyrazole-3-carboxamide
PubChem CID83617588
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC NameN-(2-aminoethyl)-1,4-dimethylpyrazole-3-carboxamide
SMILESCc1cn(C)nc1C(=O)NCCN
InChIInChI=1S/C8H14N4O/c1-6-5-12(2)11-7(6)8(13)10-4-3-9/h5H,3-4,9H2,1-2H3,(H,10,13)
InChIKeyBMZSMVPDODCGQI-UHFFFAOYSA-N
XLogP-0.58
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[(1-methyl-1H-pyrazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 844027
N-cyclopentyl-1-ethylpyrazole-3-carboxamide
CID 6464929
1-ethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrazole-3-carboxamide
CID 6469837
N-[3-(4-bromo-1H-pyrazol-1-yl)propyl]-4-iodo-1-methyl-1H-pyrazole-3-carboxamide
CID 4768427
Pyrazole-3,4-dicarboxamide, N,N',1-trimethyl-
CID 210532
Etipirol
CID 166751
N-(2-aminoethyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 2060975
4-amino-N,1-dimethyl-1H-pyrazole-5-carboxamide
CID 6485370
N-cyclopentyl-4-iodo-1-methyl-1H-pyrazole-3-carboxamide
CID 903107
N-cyclohexyl-4-iodo-1-methylpyrazole-3-carboxamide
CID 903180
N-(2,2-Dimethyl-1-(1H-pyrazol-1-ylmethyl)propyl)-1-ethyl-1H-pyrazole-5-carboxamide
CID 4771532
Pyrazole-3,4-dicarboxamide, 1-allyl-N,N'-dimethyl-
CID 202601

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1,4-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1,4-dimethylpyrazole-3-carboxamide (CID 83617588) is N-(2-aminoethyl)-1,4-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1,4-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1,4-dimethylpyrazole-3-carboxamide is Cc1cn(C)nc1C(=O)NCCN.
What is the InChIKey of N-(2-aminoethyl)-1,4-dimethylpyrazole-3-carboxamide?
The InChIKey is BMZSMVPDODCGQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-6-5-12(2)11-7(6)8(13)10-4-3-9/h5H,3-4,9H2,1-2H3,(H,10,13).
What are the key properties of N-(2-aminoethyl)-1,4-dimethylpyrazole-3-carboxamide?
N-(2-aminoethyl)-1,4-dimethylpyrazole-3-carboxamide has a molecular weight of 182.23 g/mol, XLogP of -0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1,4-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 83617588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).