(3R,4S)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride

About (3R,4S)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride

(3R,4S)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120937100) has the molecular formula C16H24ClN5O3 and a molecular weight of 369.85 g/mol. Its IUPAC name is (3R,4S)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name	(3R,4S)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID	120937100
Molecular Formula	C16H24ClN5O3
Molecular Weight	369.85 g/mol
Exact Mass	369.16
IUPAC Name	(3R,4S)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILES	CC(C)N1C(=O)CC(NC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)C1=O.Cl
InChI	InChI=1S/C16H23N5O3.ClH/c1-9(2)21-14(22)4-13(16(21)24)19-15(23)12-7-17-6-11(12)10-5-18-20(3)8-10;/h5,8-9,11-13,17H,4,6-7H2,1-3H3,(H,19,23);1H/t11-,12+,13?;/m1./s1
InChIKey	PJSXRRISGZGBQM-YNTAJXHASA-N
XLogP	-0.20
TPSA	96.33 Å²
H-Bond Donors	2
H-Bond Acceptors	6
Rotatable Bonds	4
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.85
LogP ≤ 5	-0.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?

The IUPAC name of (3R,4S)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride (CID 120937100) is (3R,4S)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride.

What is the SMILES notation for (3R,4S)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?

The canonical SMILES for (3R,4S)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride is CC(C)N1C(=O)CC(NC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)C1=O.Cl.

What is the InChIKey of (3R,4S)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?

The InChIKey is PJSXRRISGZGBQM-YNTAJXHASA-N. The full InChI is InChI=1S/C16H23N5O3.ClH/c1-9(2)21-14(22)4-13(16(21)24)19-15(23)12-7-17-6-11(12)10-5-18-20(3)8-10;/h5,8-9,11-13,17H,4,6-7H2,1-3H3,(H,19,23);1H/t11-,12+,13?;/m1./s1.

What are the key properties of (3R,4S)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?

(3R,4S)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 369.85 g/mol, XLogP of -0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R,4S)-N-(2,5-dioxo-1-propan-2-ylpyrrolidin-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120937100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).