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

C10H18N4O — CID 66121952

IUPACN-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCCN)n(CC)n1
InChIInChI=1S/C10H18N4O/c1-3-8-7-9(14(4-2)13-8)10(15)12-6-5-11/h7H,3-6,11H2,1-2H3,(H,12,15)
InChIKeyNWRQJEFVXZJKNZ-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.15
Rot. Bonds5

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

N-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide (PubChem CID 66121952) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide
PubChem CID66121952
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCCN)n(CC)n1
InChIInChI=1S/C10H18N4O/c1-3-8-7-9(14(4-2)13-8)10(15)12-6-5-11/h7H,3-6,11H2,1-2H3,(H,12,15)
InChIKeyNWRQJEFVXZJKNZ-UHFFFAOYSA-N
XLogP0.15
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-aminopentyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120386
N-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120701
N-(4-amino-2-methylbutyl)-1,3-diethylpyrazole-5-carboxamide
CID 66122010
N-(2-aminopropyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120033
ethyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]acetate
CID 66120233
N-(2-amino-3-methylbutyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121415
N-(azetidin-3-yl)-1,3-diethylpyrazole-5-carboxamide
CID 66187940
1,3-diethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-5-carboxamide
CID 102914495
1,3-diethyl-N-(3-methyl-2-oxobutyl)pyrazole-5-carboxamide
CID 66121592
N-(1-amino-4-methylpentan-3-yl)-1,3-diethylpyrazole-5-carboxamide
CID 106356961
1,3-diethyl-N-(2-methoxyethoxy)pyrazole-5-carboxamide
CID 82721370
N-(2-aminoethyl)-N-butyl-1,3-diethylpyrazole-5-carboxamide
CID 66120244

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide?
The IUPAC name of N-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide (CID 66121952) is N-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide is CCc1cc(C(=O)NCCN)n(CC)n1.
What is the InChIKey of N-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide?
The InChIKey is NWRQJEFVXZJKNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-3-8-7-9(14(4-2)13-8)10(15)12-6-5-11/h7H,3-6,11H2,1-2H3,(H,12,15).
What are the key properties of N-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide?
N-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide has a molecular weight of 210.28 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide is sourced from PubChem (CID 66121952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).