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

C11H18N4O — CID 66119641

IUPACN-(2-aminocyclopropyl)-1,3-diethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC2CC2N)n(CC)n1
InChIInChI=1S/C11H18N4O/c1-3-7-5-10(15(4-2)14-7)11(16)13-9-6-8(9)12/h5,8-9H,3-4,6,12H2,1-2H3,(H,13,16)
InChIKeySVJOCPRGNMDSKU-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.29
Rot. Bonds4

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

N-(2-aminocyclopropyl)-1,3-diethylpyrazole-5-carboxamide (PubChem CID 66119641) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-(2-aminocyclopropyl)-1,3-diethylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminocyclopropyl)-1,3-diethylpyrazole-5-carboxamide
PubChem CID66119641
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-(2-aminocyclopropyl)-1,3-diethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC2CC2N)n(CC)n1
InChIInChI=1S/C11H18N4O/c1-3-7-5-10(15(4-2)14-7)11(16)13-9-6-8(9)12/h5,8-9H,3-4,6,12H2,1-2H3,(H,13,16)
InChIKeySVJOCPRGNMDSKU-UHFFFAOYSA-N
XLogP0.29
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminocyclopropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120357
1,3-diethyl-N-[2-(hydroxymethyl)cyclohexyl]pyrazole-5-carboxamide
CID 106364536
2-[(1,3-diethylpyrazole-5-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66120397
N-(azetidin-3-yl)-1,3-diethylpyrazole-5-carboxamide
CID 66187940
N-(3-azabicyclo[3.1.0]hexan-6-yl)-1,3-diethylpyrazole-5-carboxamide
CID 66119836
N-(2-aminocyclohexyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121735
N-(2-aminocyclohexyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 66119695
N-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121952
1,3-diethyl-N-(2-methoxyethoxy)pyrazole-5-carboxamide
CID 82721370
methyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate
CID 66120627
N-(2-aminopropyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120033
ethyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]acetate
CID 66120233

Frequently Asked Questions

What is the IUPAC name of N-(2-aminocyclopropyl)-1,3-diethylpyrazole-5-carboxamide?
The IUPAC name of N-(2-aminocyclopropyl)-1,3-diethylpyrazole-5-carboxamide (CID 66119641) is N-(2-aminocyclopropyl)-1,3-diethylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2-aminocyclopropyl)-1,3-diethylpyrazole-5-carboxamide?
The canonical SMILES for N-(2-aminocyclopropyl)-1,3-diethylpyrazole-5-carboxamide is CCc1cc(C(=O)NC2CC2N)n(CC)n1.
What is the InChIKey of N-(2-aminocyclopropyl)-1,3-diethylpyrazole-5-carboxamide?
The InChIKey is SVJOCPRGNMDSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-3-7-5-10(15(4-2)14-7)11(16)13-9-6-8(9)12/h5,8-9H,3-4,6,12H2,1-2H3,(H,13,16).
What are the key properties of N-(2-aminocyclopropyl)-1,3-diethylpyrazole-5-carboxamide?
N-(2-aminocyclopropyl)-1,3-diethylpyrazole-5-carboxamide has a molecular weight of 222.29 g/mol, XLogP of 0.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminocyclopropyl)-1,3-diethylpyrazole-5-carboxamide is sourced from PubChem (CID 66119641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).