3-[[ethyl(methyl)amino]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidine-1-carboxamide

C18H25N5O — CID 71924592

IUPAC3-[[ethyl(methyl)amino]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidine-1-carboxamide
SMILESCCN(C)CC1CCN(C(=O)Nc2ccc(-c3ccn[nH]3)cc2)C1
InChIInChI=1S/C18H25N5O/c1-3-22(2)12-14-9-11-23(13-14)18(24)20-16-6-4-15(5-7-16)17-8-10-19-21-17/h4-8,10,14H,3,9,11-13H2,1-2H3,(H,19,21)(H,20,24)
InChIKeyZBCAKQGUMVQCOO-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.88
Rot. Bonds5

About 3-[[ethyl(methyl)amino]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidine-1-carboxamide

3-[[ethyl(methyl)amino]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidine-1-carboxamide (PubChem CID 71924592) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-[[ethyl(methyl)amino]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[[ethyl(methyl)amino]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidine-1-carboxamide
PubChem CID71924592
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name3-[[ethyl(methyl)amino]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidine-1-carboxamide
SMILESCCN(C)CC1CCN(C(=O)Nc2ccc(-c3ccn[nH]3)cc2)C1
InChIInChI=1S/C18H25N5O/c1-3-22(2)12-14-9-11-23(13-14)18(24)20-16-6-4-15(5-7-16)17-8-10-19-21-17/h4-8,10,14H,3,9,11-13H2,1-2H3,(H,19,21)(H,20,24)
InChIKeyZBCAKQGUMVQCOO-UHFFFAOYSA-N
XLogP2.88
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(methyl)amino]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of 3-[[ethyl(methyl)amino]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidine-1-carboxamide (CID 71924592) is 3-[[ethyl(methyl)amino]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[[ethyl(methyl)amino]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for 3-[[ethyl(methyl)amino]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidine-1-carboxamide is CCN(C)CC1CCN(C(=O)Nc2ccc(-c3ccn[nH]3)cc2)C1.
What is the InChIKey of 3-[[ethyl(methyl)amino]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidine-1-carboxamide?
The InChIKey is ZBCAKQGUMVQCOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-3-22(2)12-14-9-11-23(13-14)18(24)20-16-6-4-15(5-7-16)17-8-10-19-21-17/h4-8,10,14H,3,9,11-13H2,1-2H3,(H,19,21)(H,20,24).
What are the key properties of 3-[[ethyl(methyl)amino]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidine-1-carboxamide?
3-[[ethyl(methyl)amino]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidine-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(methyl)amino]methyl]-N-[4-(1H-pyrazol-5-yl)phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 71924592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).