2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide

C20H27N5O — CID 120771816

IUPAC2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide
SMILESCC1(CN)CCN(CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)C1
InChIInChI=1S/C20H27N5O/c1-20(13-21)9-10-24(14-20)12-19(26)22-18-11-17(15-7-8-15)23-25(18)16-5-3-2-4-6-16/h2-6,11,15H,7-10,12-14,21H2,1H3,(H,22,26)
InChIKeyNOWWAMYKYZRUCO-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.36
Rot. Bonds6

About 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide

2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide (PubChem CID 120771816) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide
PubChem CID120771816
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide
SMILESCC1(CN)CCN(CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)C1
InChIInChI=1S/C20H27N5O/c1-20(13-21)9-10-24(14-20)12-19(26)22-18-11-17(15-7-8-15)23-25(18)16-5-3-2-4-6-16/h2-6,11,15H,7-10,12-14,21H2,1H3,(H,22,26)
InChIKeyNOWWAMYKYZRUCO-UHFFFAOYSA-N
XLogP2.36
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide?
The IUPAC name of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide (CID 120771816) is 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide.
What is the SMILES notation for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide?
The canonical SMILES for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide is CC1(CN)CCN(CC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)C1.
What is the InChIKey of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide?
The InChIKey is NOWWAMYKYZRUCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-20(13-21)9-10-24(14-20)12-19(26)22-18-11-17(15-7-8-15)23-25(18)16-5-3-2-4-6-16/h2-6,11,15H,7-10,12-14,21H2,1H3,(H,22,26).
What are the key properties of 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide?
2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide has a molecular weight of 353.47 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide is sourced from PubChem (CID 120771816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).