N-[1-(diethylaminomethyl)cyclopropyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide

C14H24N4O2 — CID 122561766

IUPACN-[1-(diethylaminomethyl)cyclopropyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
SMILESCCN(CC)CC1(NC(=O)Cc2c(C)[nH][nH]c2=O)CC1
InChIInChI=1S/C14H24N4O2/c1-4-18(5-2)9-14(6-7-14)15-12(19)8-11-10(3)16-17-13(11)20/h4-9H2,1-3H3,(H,15,19)(H2,16,17,20)
InChIKeyULGLDRCQCGCCGV-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.54
Rot. Bonds7

About N-[1-(diethylaminomethyl)cyclopropyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide

N-[1-(diethylaminomethyl)cyclopropyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide (PubChem CID 122561766) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-[1-(diethylaminomethyl)cyclopropyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[1-(diethylaminomethyl)cyclopropyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
PubChem CID122561766
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-[1-(diethylaminomethyl)cyclopropyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide
SMILESCCN(CC)CC1(NC(=O)Cc2c(C)[nH][nH]c2=O)CC1
InChIInChI=1S/C14H24N4O2/c1-4-18(5-2)9-14(6-7-14)15-12(19)8-11-10(3)16-17-13(11)20/h4-9H2,1-3H3,(H,15,19)(H2,16,17,20)
InChIKeyULGLDRCQCGCCGV-UHFFFAOYSA-N
XLogP0.54
TPSA80.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylaminomethyl)cyclopropyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide?
The IUPAC name of N-[1-(diethylaminomethyl)cyclopropyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide (CID 122561766) is N-[1-(diethylaminomethyl)cyclopropyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide.
What is the SMILES notation for N-[1-(diethylaminomethyl)cyclopropyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide?
The canonical SMILES for N-[1-(diethylaminomethyl)cyclopropyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide is CCN(CC)CC1(NC(=O)Cc2c(C)[nH][nH]c2=O)CC1.
What is the InChIKey of N-[1-(diethylaminomethyl)cyclopropyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide?
The InChIKey is ULGLDRCQCGCCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-4-18(5-2)9-14(6-7-14)15-12(19)8-11-10(3)16-17-13(11)20/h4-9H2,1-3H3,(H,15,19)(H2,16,17,20).
What are the key properties of N-[1-(diethylaminomethyl)cyclopropyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide?
N-[1-(diethylaminomethyl)cyclopropyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide has a molecular weight of 280.37 g/mol, XLogP of 0.54, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylaminomethyl)cyclopropyl]-2-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)acetamide is sourced from PubChem (CID 122561766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).