2-[cyclopropyl(methyl)amino]-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone

C14H22N4O — CID 56780185

IUPAC2-[cyclopropyl(methyl)amino]-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
SMILESCN(CC(=O)N1CCCC1Cn1cccn1)C1CC1
InChIInChI=1S/C14H22N4O/c1-16(12-5-6-12)11-14(19)18-9-2-4-13(18)10-17-8-3-7-15-17/h3,7-8,12-13H,2,4-6,9-11H2,1H3
InChIKeyZYCMUHLHPLFETB-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.97
Rot. Bonds5

About 2-[cyclopropyl(methyl)amino]-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone

2-[cyclopropyl(methyl)amino]-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone (PubChem CID 56780185) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 2-[cyclopropyl(methyl)amino]-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[cyclopropyl(methyl)amino]-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
PubChem CID56780185
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name2-[cyclopropyl(methyl)amino]-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
SMILESCN(CC(=O)N1CCCC1Cn1cccn1)C1CC1
InChIInChI=1S/C14H22N4O/c1-16(12-5-6-12)11-14(19)18-9-2-4-13(18)10-17-8-3-7-15-17/h3,7-8,12-13H,2,4-6,9-11H2,1H3
InChIKeyZYCMUHLHPLFETB-UHFFFAOYSA-N
XLogP0.97
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(methyl)amino]-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[cyclopropyl(methyl)amino]-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone (CID 56780185) is 2-[cyclopropyl(methyl)amino]-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[cyclopropyl(methyl)amino]-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[cyclopropyl(methyl)amino]-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone is CN(CC(=O)N1CCCC1Cn1cccn1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(methyl)amino]-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is ZYCMUHLHPLFETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-16(12-5-6-12)11-14(19)18-9-2-4-13(18)10-17-8-3-7-15-17/h3,7-8,12-13H,2,4-6,9-11H2,1H3.
What are the key properties of 2-[cyclopropyl(methyl)amino]-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone?
2-[cyclopropyl(methyl)amino]-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 262.36 g/mol, XLogP of 0.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(methyl)amino]-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 56780185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).