N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)-3-pyrrolidin-1-ylbenzamide

C18H23N5O2 — CID 136567512

IUPACN-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)-3-pyrrolidin-1-ylbenzamide
SMILESCC(Cn1cccn1)(NC(=O)c1cccc(N2CCCC2)c1)C(N)=O
InChIInChI=1S/C18H23N5O2/c1-18(17(19)25,13-23-11-5-8-20-23)21-16(24)14-6-4-7-15(12-14)22-9-2-3-10-22/h4-8,11-12H,2-3,9-10,13H2,1H3,(H2,19,25)(H,21,24)
InChIKeyMTLDBMFQQJDOOC-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.16
Rot. Bonds6

About N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)-3-pyrrolidin-1-ylbenzamide

N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)-3-pyrrolidin-1-ylbenzamide (PubChem CID 136567512) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)-3-pyrrolidin-1-ylbenzamide.

Molecular Properties

Compound NameN-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)-3-pyrrolidin-1-ylbenzamide
PubChem CID136567512
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)-3-pyrrolidin-1-ylbenzamide
SMILESCC(Cn1cccn1)(NC(=O)c1cccc(N2CCCC2)c1)C(N)=O
InChIInChI=1S/C18H23N5O2/c1-18(17(19)25,13-23-11-5-8-20-23)21-16(24)14-6-4-7-15(12-14)22-9-2-3-10-22/h4-8,11-12H,2-3,9-10,13H2,1H3,(H2,19,25)(H,21,24)
InChIKeyMTLDBMFQQJDOOC-UHFFFAOYSA-N
XLogP1.16
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)-3-pyrrolidin-1-ylbenzamide?
The IUPAC name of N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)-3-pyrrolidin-1-ylbenzamide (CID 136567512) is N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)-3-pyrrolidin-1-ylbenzamide.
What is the SMILES notation for N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)-3-pyrrolidin-1-ylbenzamide?
The canonical SMILES for N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)-3-pyrrolidin-1-ylbenzamide is CC(Cn1cccn1)(NC(=O)c1cccc(N2CCCC2)c1)C(N)=O.
What is the InChIKey of N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)-3-pyrrolidin-1-ylbenzamide?
The InChIKey is MTLDBMFQQJDOOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-18(17(19)25,13-23-11-5-8-20-23)21-16(24)14-6-4-7-15(12-14)22-9-2-3-10-22/h4-8,11-12H,2-3,9-10,13H2,1H3,(H2,19,25)(H,21,24).
What are the key properties of N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)-3-pyrrolidin-1-ylbenzamide?
N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)-3-pyrrolidin-1-ylbenzamide has a molecular weight of 341.42 g/mol, XLogP of 1.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methyl-1-oxo-3-pyrazol-1-ylpropan-2-yl)-3-pyrrolidin-1-ylbenzamide is sourced from PubChem (CID 136567512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).