N-[3-(dimethylamino)propyl]-N-ethyl-1H-pyrazole-4-carboxamide

C11H20N4O — CID 102978931

IUPACN-[3-(dimethylamino)propyl]-N-ethyl-1H-pyrazole-4-carboxamide
SMILESCCN(CCCN(C)C)C(=O)c1cn[nH]c1
InChIInChI=1S/C11H20N4O/c1-4-15(7-5-6-14(2)3)11(16)10-8-12-13-9-10/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyBULWEJUXCYOTEU-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.82
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-N-ethyl-1H-pyrazole-4-carboxamide

N-[3-(dimethylamino)propyl]-N-ethyl-1H-pyrazole-4-carboxamide (PubChem CID 102978931) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-N-ethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-N-ethyl-1H-pyrazole-4-carboxamide
PubChem CID102978931
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-[3-(dimethylamino)propyl]-N-ethyl-1H-pyrazole-4-carboxamide
SMILESCCN(CCCN(C)C)C(=O)c1cn[nH]c1
InChIInChI=1S/C11H20N4O/c1-4-15(7-5-6-14(2)3)11(16)10-8-12-13-9-10/h8-9H,4-7H2,1-3H3,(H,12,13)
InChIKeyBULWEJUXCYOTEU-UHFFFAOYSA-N
XLogP0.82
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis[3-(dimethylamino)propyl]-1H-pyrazole-4-carboxamide
CID 60959519
N-[3-(dimethylamino)propyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 63701216
N-(2-aminoethyl)-N-ethyl-1H-pyrazole-4-carboxamide
CID 63085431
N-[3-(dimethylamino)propyl]-N-ethyl-2H-triazole-4-carboxamide
CID 102978833
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-cyclopentyl-N-[2-(dimethylamino)ethyl]-1H-pyrazole-4-carboxamide
CID 54877373
4-[methyl(1H-pyrazole-4-carbonyl)amino]butanoic acid
CID 43565635
6-amino-N-[3-(dimethylamino)propyl]-N-ethylpyrazine-2-carboxamide
CID 114036119
N-[3-(dimethylamino)propyl]-N-ethyl-3,4-dihydroxybenzamide
CID 102978865
N-[3-(dimethylamino)propyl]-N-ethyl-6-(ethylamino)pyridine-3-carboxamide
CID 102996750

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-N-ethyl-1H-pyrazole-4-carboxamide (CID 102978931) is N-[3-(dimethylamino)propyl]-N-ethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-N-ethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-N-ethyl-1H-pyrazole-4-carboxamide is CCN(CCCN(C)C)C(=O)c1cn[nH]c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-N-ethyl-1H-pyrazole-4-carboxamide?
The InChIKey is BULWEJUXCYOTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-15(7-5-6-14(2)3)11(16)10-8-12-13-9-10/h8-9H,4-7H2,1-3H3,(H,12,13).
What are the key properties of N-[3-(dimethylamino)propyl]-N-ethyl-1H-pyrazole-4-carboxamide?
N-[3-(dimethylamino)propyl]-N-ethyl-1H-pyrazole-4-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 0.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-N-ethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 102978931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).