N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide

C15H27N5O — CID 91923160

IUPACN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)N[C@@H]2CN(C)C[C@H]2CN(C)C)c1
InChIInChI=1S/C15H27N5O/c1-12-7-16-20(8-12)6-5-15(21)17-14-11-19(4)10-13(14)9-18(2)3/h7-8,13-14H,5-6,9-11H2,1-4H3,(H,17,21)/t13-,14-/m1/s1
InChIKeyUBEXHHJLCGMSGJ-ZIAGYGMSSA-N
MW293.41 g/mol
LogP0.19
Rot. Bonds6

About N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide (PubChem CID 91923160) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide
PubChem CID91923160
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide
SMILESCc1cnn(CCC(=O)N[C@@H]2CN(C)C[C@H]2CN(C)C)c1
InChIInChI=1S/C15H27N5O/c1-12-7-16-20(8-12)6-5-15(21)17-14-11-19(4)10-13(14)9-18(2)3/h7-8,13-14H,5-6,9-11H2,1-4H3,(H,17,21)/t13-,14-/m1/s1
InChIKeyUBEXHHJLCGMSGJ-ZIAGYGMSSA-N
XLogP0.19
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide (CID 91923160) is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide is Cc1cnn(CCC(=O)N[C@@H]2CN(C)C[C@H]2CN(C)C)c1.
What is the InChIKey of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide?
The InChIKey is UBEXHHJLCGMSGJ-ZIAGYGMSSA-N. The full InChI is InChI=1S/C15H27N5O/c1-12-7-16-20(8-12)6-5-15(21)17-14-11-19(4)10-13(14)9-18(2)3/h7-8,13-14H,5-6,9-11H2,1-4H3,(H,17,21)/t13-,14-/m1/s1.
What are the key properties of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide?
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide has a molecular weight of 293.41 g/mol, XLogP of 0.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-3-(4-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 91923160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).