N-(2-aminoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide

C12H20N4O — CID 66121097

IUPACN-(2-aminoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(CCN)C2CC2)n(C)n1
InChIInChI=1S/C12H20N4O/c1-3-9-8-11(15(2)14-9)12(17)16(7-6-13)10-4-5-10/h8,10H,3-7,13H2,1-2H3
InChIKeyXAWNIVNDKZAXAA-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.55
Rot. Bonds5

About N-(2-aminoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide

N-(2-aminoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 66121097) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID66121097
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-(2-aminoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(CCN)C2CC2)n(C)n1
InChIInChI=1S/C12H20N4O/c1-3-9-8-11(15(2)14-9)12(17)16(7-6-13)10-4-5-10/h8,10H,3-7,13H2,1-2H3
InChIKeyXAWNIVNDKZAXAA-UHFFFAOYSA-N
XLogP0.55
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N-cyclohexyl-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121559
N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120332
N-(azetidin-3-yl)-3-ethyl-1-methyl-N-propylpyrazole-5-carboxamide
CID 66184379
N-(3-aminopropyl)-N-cyclopropyl-1,3-diethylpyrazole-5-carboxamide
CID 66121370
N-cyclopropyl-3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide
CID 106599278
N-(2-aminoethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120701
N-(2-amino-2-oxoethyl)-3-ethyl-1-methyl-N-pyrrolidin-3-ylpyrazole-5-carboxamide
CID 66122670
3-ethyl-N,1-dimethyl-N-(4-oxocyclohexyl)pyrazole-5-carboxamide
CID 79120552
3-ethyl-N,1-dimethyl-N-piperidin-4-ylpyrazole-5-carboxamide
CID 66121344
3-[cyclopropyl-(1,3-diethylpyrazole-5-carbonyl)amino]propanoic acid
CID 66121181
3-ethyl-N,N-bis(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide
CID 66122498
N-[2-(aminomethyl)cyclohexyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 66121154

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide (CID 66121097) is N-(2-aminoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)N(CCN)C2CC2)n(C)n1.
What is the InChIKey of N-(2-aminoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is XAWNIVNDKZAXAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-9-8-11(15(2)14-9)12(17)16(7-6-13)10-4-5-10/h8,10H,3-7,13H2,1-2H3.
What are the key properties of N-(2-aminoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide?
N-(2-aminoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66121097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).