N-[(3R,4S)-4-cyclopropyl-1-(3-methylbut-2-enyl)pyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride

C21H35ClN4O — CID 154898039

About N-[(3R,4S)-4-cyclopropyl-1-(3-methylbut-2-enyl)pyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride

N-[(3R,4S)-4-cyclopropyl-1-(3-methylbut-2-enyl)pyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride (PubChem CID 154898039) has the molecular formula C21H35ClN4O and a molecular weight of 394.99 g/mol. Its IUPAC name is N-[(3R,4S)-4-cyclopropyl-1-(3-methylbut-2-enyl)pyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride.

Molecular Properties

• Compound Name: N-[(3R,4S)-4-cyclopropyl-1-(3-methylbut-2-enyl)pyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride
• PubChem CID: 154898039
• Molecular Formula: C21H35ClN4O
• Molecular Weight: 394.99 g/mol
• Exact Mass: 394.25
• IUPAC Name: N-[(3R,4S)-4-cyclopropyl-1-(3-methylbut-2-enyl)pyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride
• SMILES: CC(C)=CCN1C[C@H](NC(=O)CCc2c(C)nn(C)c2C)[C@@H](C2CC2)C1.Cl
• InChI: InChI=1S/C21H34N4O.ClH/c1-14(2)10-11-25-12-19(17-6-7-17)20(13-25)22-21(26)9-8-18-15(3)23-24(5)16(18)4;/h10,17,19-20H,6-9,11-13H2,1-5H3,(H,22,26);1H/t19-,20+;/m1./s1
• InChIKey: QHEYHRHWXORQPC-FDOHDBATSA-N
• XLogP: 3.18
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.99
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(3-methylbut-2-enyl)pyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride?

The IUPAC name of N-[(3R,4S)-4-cyclopropyl-1-(3-methylbut-2-enyl)pyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride (CID 154898039) is N-[(3R,4S)-4-cyclopropyl-1-(3-methylbut-2-enyl)pyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride.

What is the SMILES notation for N-[(3R,4S)-4-cyclopropyl-1-(3-methylbut-2-enyl)pyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride?

The canonical SMILES for N-[(3R,4S)-4-cyclopropyl-1-(3-methylbut-2-enyl)pyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride is CC(C)=CCN1C[C@H](NC(=O)CCc2c(C)nn(C)c2C)[C@@H](C2CC2)C1.Cl.

What is the InChIKey of N-[(3R,4S)-4-cyclopropyl-1-(3-methylbut-2-enyl)pyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride?

The InChIKey is QHEYHRHWXORQPC-FDOHDBATSA-N. The full InChI is InChI=1S/C21H34N4O.ClH/c1-14(2)10-11-25-12-19(17-6-7-17)20(13-25)22-21(26)9-8-18-15(3)23-24(5)16(18)4;/h10,17,19-20H,6-9,11-13H2,1-5H3,(H,22,26);1H/t19-,20+;/m1./s1.

What are the key properties of N-[(3R,4S)-4-cyclopropyl-1-(3-methylbut-2-enyl)pyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride?

N-[(3R,4S)-4-cyclopropyl-1-(3-methylbut-2-enyl)pyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride has a molecular weight of 394.99 g/mol, XLogP of 3.18, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R,4S)-4-cyclopropyl-1-(3-methylbut-2-enyl)pyrrolidin-3-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide;hydrochloride is sourced from PubChem (CID 154898039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).