N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide

C14H25N5O — CID 91923159

IUPACN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCc1ccn(CC(=O)N[C@@H]2CN(C)C[C@H]2CN(C)C)n1
InChIInChI=1S/C14H25N5O/c1-11-5-6-19(16-11)10-14(20)15-13-9-18(4)8-12(13)7-17(2)3/h5-6,12-13H,7-10H2,1-4H3,(H,15,20)/t12-,13-/m1/s1
InChIKeyZWDOXALWIDUZAN-CHWSQXEVSA-N
MW279.39 g/mol
LogP-0.20
Rot. Bonds5

About N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide

N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide (PubChem CID 91923159) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide
PubChem CID91923159
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC NameN-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCc1ccn(CC(=O)N[C@@H]2CN(C)C[C@H]2CN(C)C)n1
InChIInChI=1S/C14H25N5O/c1-11-5-6-19(16-11)10-14(20)15-13-9-18(4)8-12(13)7-17(2)3/h5-6,12-13H,7-10H2,1-4H3,(H,15,20)/t12-,13-/m1/s1
InChIKeyZWDOXALWIDUZAN-CHWSQXEVSA-N
XLogP-0.20
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 5-0.20
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]-2-(3-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide (CID 91923159) is N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide is Cc1ccn(CC(=O)N[C@@H]2CN(C)C[C@H]2CN(C)C)n1.
What is the InChIKey of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide?
The InChIKey is ZWDOXALWIDUZAN-CHWSQXEVSA-N. The full InChI is InChI=1S/C14H25N5O/c1-11-5-6-19(16-11)10-14(20)15-13-9-18(4)8-12(13)7-17(2)3/h5-6,12-13H,7-10H2,1-4H3,(H,15,20)/t12-,13-/m1/s1.
What are the key properties of N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide?
N-[(3S,4R)-4-[(dimethylamino)methyl]-1-methylpyrrolidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide has a molecular weight of 279.39 g/mol, XLogP of -0.20, 5 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]-2-(3-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 91923159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).