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

C11H20N4O — CID 66120033

IUPACN-(2-aminopropyl)-1,3-diethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCC(C)N)n(CC)n1
InChIInChI=1S/C11H20N4O/c1-4-9-6-10(15(5-2)14-9)11(16)13-7-8(3)12/h6,8H,4-5,7,12H2,1-3H3,(H,13,16)
InChIKeyDESDXYLNDZTGFQ-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.54
Rot. Bonds5

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

N-(2-aminopropyl)-1,3-diethylpyrazole-5-carboxamide (PubChem CID 66120033) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-(2-aminopropyl)-1,3-diethylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminopropyl)-1,3-diethylpyrazole-5-carboxamide
PubChem CID66120033
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-(2-aminopropyl)-1,3-diethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NCC(C)N)n(CC)n1
InChIInChI=1S/C11H20N4O/c1-4-9-6-10(15(5-2)14-9)11(16)13-7-8(3)12/h6,8H,4-5,7,12H2,1-3H3,(H,13,16)
InChIKeyDESDXYLNDZTGFQ-UHFFFAOYSA-N
XLogP0.54
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-3-methylbutyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121415
1,3-diethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-5-carboxamide
CID 102914495
N-(4-amino-2-methylbutyl)-1,3-diethylpyrazole-5-carboxamide
CID 66122010
1,3-diethyl-N-(3-methyl-2-oxobutyl)pyrazole-5-carboxamide
CID 66121592
N-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121952
1,3-diethyl-N-(2-hydroxy-4,4-dimethylpentyl)pyrazole-5-carboxamide
CID 107155249
methyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate
CID 66120627
ethyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]acetate
CID 66120233
N-(1-amino-1-sulfanylidenepropan-2-yl)-1,3-diethylpyrazole-5-carboxamide
CID 66121975
1,3-diethyl-N-(1-hydroxy-4-methylpentan-3-yl)pyrazole-5-carboxamide
CID 106352951
N-(5-aminopentyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120386
N-[3-(1-aminoethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide
CID 66121775

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopropyl)-1,3-diethylpyrazole-5-carboxamide?
The IUPAC name of N-(2-aminopropyl)-1,3-diethylpyrazole-5-carboxamide (CID 66120033) is N-(2-aminopropyl)-1,3-diethylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2-aminopropyl)-1,3-diethylpyrazole-5-carboxamide?
The canonical SMILES for N-(2-aminopropyl)-1,3-diethylpyrazole-5-carboxamide is CCc1cc(C(=O)NCC(C)N)n(CC)n1.
What is the InChIKey of N-(2-aminopropyl)-1,3-diethylpyrazole-5-carboxamide?
The InChIKey is DESDXYLNDZTGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-9-6-10(15(5-2)14-9)11(16)13-7-8(3)12/h6,8H,4-5,7,12H2,1-3H3,(H,13,16).
What are the key properties of N-(2-aminopropyl)-1,3-diethylpyrazole-5-carboxamide?
N-(2-aminopropyl)-1,3-diethylpyrazole-5-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopropyl)-1,3-diethylpyrazole-5-carboxamide is sourced from PubChem (CID 66120033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).