N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide

C19H26N4O — CID 56668800

IUPACN-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESCC(C)N1CC[C@@H](N(C)C(=O)c2ccc(Cn3cccn3)cc2)C1
InChIInChI=1S/C19H26N4O/c1-15(2)22-12-9-18(14-22)21(3)19(24)17-7-5-16(6-8-17)13-23-11-4-10-20-23/h4-8,10-11,15,18H,9,12-14H2,1-3H3/t18-/m1/s1
InChIKeyRUNQEQMRPYBUDW-GOSISDBHSA-N
MW326.44 g/mol
LogP2.49
Rot. Bonds5

About N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide

N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 56668800) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID56668800
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide
SMILESCC(C)N1CC[C@@H](N(C)C(=O)c2ccc(Cn3cccn3)cc2)C1
InChIInChI=1S/C19H26N4O/c1-15(2)22-12-9-18(14-22)21(3)19(24)17-7-5-16(6-8-17)13-23-11-4-10-20-23/h4-8,10-11,15,18H,9,12-14H2,1-3H3/t18-/m1/s1
InChIKeyRUNQEQMRPYBUDW-GOSISDBHSA-N
XLogP2.49
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide (CID 56668800) is N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide is CC(C)N1CC[C@@H](N(C)C(=O)c2ccc(Cn3cccn3)cc2)C1.
What is the InChIKey of N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is RUNQEQMRPYBUDW-GOSISDBHSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15(2)22-12-9-18(14-22)21(3)19(24)17-7-5-16(6-8-17)13-23-11-4-10-20-23/h4-8,10-11,15,18H,9,12-14H2,1-3H3/t18-/m1/s1.
What are the key properties of N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide?
N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 326.44 g/mol, XLogP of 2.49, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 56668800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).