N-(2-aminoethyl)-N-butyl-1-methylpyrazole-4-carboxamide

C11H20N4O — CID 63755874

IUPACN-(2-aminoethyl)-N-butyl-1-methylpyrazole-4-carboxamide
SMILESCCCCN(CCN)C(=O)c1cnn(C)c1
InChIInChI=1S/C11H20N4O/c1-3-4-6-15(7-5-12)11(16)10-8-13-14(2)9-10/h8-9H,3-7,12H2,1-2H3
InChIKeyOFWLOBDCDJDLMA-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.62
Rot. Bonds6

About N-(2-aminoethyl)-N-butyl-1-methylpyrazole-4-carboxamide

N-(2-aminoethyl)-N-butyl-1-methylpyrazole-4-carboxamide (PubChem CID 63755874) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-butyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-butyl-1-methylpyrazole-4-carboxamide
PubChem CID63755874
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-(2-aminoethyl)-N-butyl-1-methylpyrazole-4-carboxamide
SMILESCCCCN(CCN)C(=O)c1cnn(C)c1
InChIInChI=1S/C11H20N4O/c1-3-4-6-15(7-5-12)11(16)10-8-13-14(2)9-10/h8-9H,3-7,12H2,1-2H3
InChIKeyOFWLOBDCDJDLMA-UHFFFAOYSA-N
XLogP0.62
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 107493520
N-(2-bromoethyl)-1-methyl-N-propylpyrazole-4-carboxamide
CID 80661307
N-(2-aminoethyl)-N-butylpyrimidine-5-carboxamide
CID 102922881
3-[ethyl-(1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 61008278
N-(2-aminoethyl)-N-butyl-2,3,4,5,6-pentafluorobenzamide
CID 63754248
N-ethyl-1-methyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 78970434
N-(2-aminoethyl)-N-benzyl-4-(1-methylpyrazol-4-yl)benzamide
CID 167894254
N-ethyl-N,1-dimethylpyrazole-4-carboxamide;hydrochloride
CID 130678775
N-[(3-aminophenyl)methyl]-1-methyl-N-propylpyrazole-4-carboxamide
CID 43459645
3-amino-1-(1-methylpyrazol-4-yl)propan-1-one
CID 82416925
3-[3-ethoxypropyl-(1-methylpyrazole-4-carbonyl)amino]-2-methylpropanoic acid
CID 119208314
N-(2-aminoethyl)-N-butylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 103123033

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-butyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-butyl-1-methylpyrazole-4-carboxamide (CID 63755874) is N-(2-aminoethyl)-N-butyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-butyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-butyl-1-methylpyrazole-4-carboxamide is CCCCN(CCN)C(=O)c1cnn(C)c1.
What is the InChIKey of N-(2-aminoethyl)-N-butyl-1-methylpyrazole-4-carboxamide?
The InChIKey is OFWLOBDCDJDLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-3-4-6-15(7-5-12)11(16)10-8-13-14(2)9-10/h8-9H,3-7,12H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-butyl-1-methylpyrazole-4-carboxamide?
N-(2-aminoethyl)-N-butyl-1-methylpyrazole-4-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 0.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-butyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 63755874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).