N-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide

C19H24N4O2 — CID 121279739

IUPACN-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
SMILESCC(C)c1cc(C(=O)N2CCC(N(C)C(=O)c3ccccc3)C2)n[nH]1
InChIInChI=1S/C19H24N4O2/c1-13(2)16-11-17(21-20-16)19(25)23-10-9-15(12-23)22(3)18(24)14-7-5-4-6-8-14/h4-8,11,13,15H,9-10,12H2,1-3H3,(H,20,21)
InChIKeyWWUYYKIOZLZMKC-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.52
Rot. Bonds4

About N-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide

N-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide (PubChem CID 121279739) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide.

Molecular Properties

Compound NameN-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
PubChem CID121279739
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide
SMILESCC(C)c1cc(C(=O)N2CCC(N(C)C(=O)c3ccccc3)C2)n[nH]1
InChIInChI=1S/C19H24N4O2/c1-13(2)16-11-17(21-20-16)19(25)23-10-9-15(12-23)22(3)18(24)14-7-5-4-6-8-14/h4-8,11,13,15H,9-10,12H2,1-3H3,(H,20,21)
InChIKeyWWUYYKIOZLZMKC-UHFFFAOYSA-N
XLogP2.52
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide?
The IUPAC name of N-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide (CID 121279739) is N-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide.
What is the SMILES notation for N-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide?
The canonical SMILES for N-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide is CC(C)c1cc(C(=O)N2CCC(N(C)C(=O)c3ccccc3)C2)n[nH]1.
What is the InChIKey of N-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide?
The InChIKey is WWUYYKIOZLZMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13(2)16-11-17(21-20-16)19(25)23-10-9-15(12-23)22(3)18(24)14-7-5-4-6-8-14/h4-8,11,13,15H,9-10,12H2,1-3H3,(H,20,21).
What are the key properties of N-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide?
N-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide has a molecular weight of 340.43 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide is sourced from PubChem (CID 121279739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).