N-(2-aminoethyl)-N-butyl-1,3-diethylpyrazole-5-carboxamide

C14H26N4O — CID 66120244

IUPACN-(2-aminoethyl)-N-butyl-1,3-diethylpyrazole-5-carboxamide
SMILESCCCCN(CCN)C(=O)c1cc(CC)nn1CC
InChIInChI=1S/C14H26N4O/c1-4-7-9-17(10-8-15)14(19)13-11-12(5-2)16-18(13)6-3/h11H,4-10,15H2,1-3H3
InChIKeyRGDNKOCTYDQAIH-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.67
Rot. Bonds8

About N-(2-aminoethyl)-N-butyl-1,3-diethylpyrazole-5-carboxamide

N-(2-aminoethyl)-N-butyl-1,3-diethylpyrazole-5-carboxamide (PubChem CID 66120244) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-butyl-1,3-diethylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-butyl-1,3-diethylpyrazole-5-carboxamide
PubChem CID66120244
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-(2-aminoethyl)-N-butyl-1,3-diethylpyrazole-5-carboxamide
SMILESCCCCN(CCN)C(=O)c1cc(CC)nn1CC
InChIInChI=1S/C14H26N4O/c1-4-7-9-17(10-8-15)14(19)13-11-12(5-2)16-18(13)6-3/h11H,4-10,15H2,1-3H3
InChIKeyRGDNKOCTYDQAIH-UHFFFAOYSA-N
XLogP1.67
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-cyclopropyl-1,3-diethylpyrazole-5-carboxamide
CID 66121370
N-(1-aminopropan-2-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide
CID 104556601
2-[(1,3-diethylpyrazole-5-carbonyl)-propylamino]acetic acid
CID 66121962
N-butyl-N-(2-chloroethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119787
N-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121952
N-butyl-2-ethyl-N-(2-hydroxyethyl)-5-methylpyrazole-3-carboxamide
CID 66120277
2-[(1,3-diethylpyrazole-5-carbonyl)-ethylamino]acetic acid
CID 66121770
2-[(2-amino-2-oxoethyl)-(1,3-diethylpyrazole-5-carbonyl)amino]acetic acid
CID 107434236
N-(5-aminopentyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120386
N-(3-bromopropyl)-1,3-diethyl-N-propan-2-ylpyrazole-5-carboxamide
CID 80661593
N-(2-aminoethyl)-N-butyl-2,3,4,5,6-pentafluorobenzamide
CID 63754248
N-(2-aminoethyl)-N-butylpyrimidine-5-carboxamide
CID 102922881

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-butyl-1,3-diethylpyrazole-5-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-butyl-1,3-diethylpyrazole-5-carboxamide (CID 66120244) is N-(2-aminoethyl)-N-butyl-1,3-diethylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-butyl-1,3-diethylpyrazole-5-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-butyl-1,3-diethylpyrazole-5-carboxamide is CCCCN(CCN)C(=O)c1cc(CC)nn1CC.
What is the InChIKey of N-(2-aminoethyl)-N-butyl-1,3-diethylpyrazole-5-carboxamide?
The InChIKey is RGDNKOCTYDQAIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-7-9-17(10-8-15)14(19)13-11-12(5-2)16-18(13)6-3/h11H,4-10,15H2,1-3H3.
What are the key properties of N-(2-aminoethyl)-N-butyl-1,3-diethylpyrazole-5-carboxamide?
N-(2-aminoethyl)-N-butyl-1,3-diethylpyrazole-5-carboxamide has a molecular weight of 266.39 g/mol, XLogP of 1.67, 8 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-1,3-diethylpyrazole-5-carboxamide is sourced from PubChem (CID 66120244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).