N-[(3R,4S)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-3-methoxypropanamide

C18H30N4O2 — CID 72857374

IUPACN-[(3R,4S)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-3-methoxypropanamide
SMILESCOCCC(=O)N[C@H]1CN(Cc2cc(C3CC3)n[nH]2)C[C@@H]1C(C)C
InChIInChI=1S/C18H30N4O2/c1-12(2)15-10-22(11-17(15)19-18(23)6-7-24-3)9-14-8-16(21-20-14)13-4-5-13/h8,12-13,15,17H,4-7,9-11H2,1-3H3,(H,19,23)(H,20,21)/t15-,17+/m1/s1
InChIKeyKAHNQQCROMRYAQ-WBVHZDCISA-N
MW334.46 g/mol
LogP1.90
Rot. Bonds8

About N-[(3R,4S)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-3-methoxypropanamide

N-[(3R,4S)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-3-methoxypropanamide (PubChem CID 72857374) has the molecular formula C18H30N4O2 and a molecular weight of 334.46 g/mol. Its IUPAC name is N-[(3R,4S)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-3-methoxypropanamide.

Molecular Properties

Compound NameN-[(3R,4S)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-3-methoxypropanamide
PubChem CID72857374
Molecular FormulaC18H30N4O2
Molecular Weight334.46 g/mol
Exact Mass334.24
IUPAC NameN-[(3R,4S)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-3-methoxypropanamide
SMILESCOCCC(=O)N[C@H]1CN(Cc2cc(C3CC3)n[nH]2)C[C@@H]1C(C)C
InChIInChI=1S/C18H30N4O2/c1-12(2)15-10-22(11-17(15)19-18(23)6-7-24-3)9-14-8-16(21-20-14)13-4-5-13/h8,12-13,15,17H,4-7,9-11H2,1-3H3,(H,19,23)(H,20,21)/t15-,17+/m1/s1
InChIKeyKAHNQQCROMRYAQ-WBVHZDCISA-N
XLogP1.90
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.46
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-3-methoxypropanamide?
The IUPAC name of N-[(3R,4S)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-3-methoxypropanamide (CID 72857374) is N-[(3R,4S)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-3-methoxypropanamide.
What is the SMILES notation for N-[(3R,4S)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-3-methoxypropanamide?
The canonical SMILES for N-[(3R,4S)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-3-methoxypropanamide is COCCC(=O)N[C@H]1CN(Cc2cc(C3CC3)n[nH]2)C[C@@H]1C(C)C.
What is the InChIKey of N-[(3R,4S)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-3-methoxypropanamide?
The InChIKey is KAHNQQCROMRYAQ-WBVHZDCISA-N. The full InChI is InChI=1S/C18H30N4O2/c1-12(2)15-10-22(11-17(15)19-18(23)6-7-24-3)9-14-8-16(21-20-14)13-4-5-13/h8,12-13,15,17H,4-7,9-11H2,1-3H3,(H,19,23)(H,20,21)/t15-,17+/m1/s1.
What are the key properties of N-[(3R,4S)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-3-methoxypropanamide?
N-[(3R,4S)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-3-methoxypropanamide has a molecular weight of 334.46 g/mol, XLogP of 1.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-1-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl]-4-propan-2-ylpyrrolidin-3-yl]-3-methoxypropanamide is sourced from PubChem (CID 72857374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).