(3S,4S)-4-cyclopropyl-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid

C16H19N3O3 — CID 70742072

IUPAC(3S,4S)-4-cyclopropyl-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CN(Cc2ccc(-c3ccn[nH]3)o2)C[C@H]1C1CC1
InChIInChI=1S/C16H19N3O3/c20-16(21)13-9-19(8-12(13)10-1-2-10)7-11-3-4-15(22-11)14-5-6-17-18-14/h3-6,10,12-13H,1-2,7-9H2,(H,17,18)(H,20,21)/t12-,13+/m0/s1
InChIKeyLZPWMVBTNWZNPS-QWHCGFSZSA-N
MW301.35 g/mol
LogP2.21
Rot. Bonds5

About (3S,4S)-4-cyclopropyl-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid

(3S,4S)-4-cyclopropyl-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid (PubChem CID 70742072) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is (3S,4S)-4-cyclopropyl-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S,4S)-4-cyclopropyl-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
PubChem CID70742072
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name(3S,4S)-4-cyclopropyl-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CN(Cc2ccc(-c3ccn[nH]3)o2)C[C@H]1C1CC1
InChIInChI=1S/C16H19N3O3/c20-16(21)13-9-19(8-12(13)10-1-2-10)7-11-3-4-15(22-11)14-5-6-17-18-14/h3-6,10,12-13H,1-2,7-9H2,(H,17,18)(H,20,21)/t12-,13+/m0/s1
InChIKeyLZPWMVBTNWZNPS-QWHCGFSZSA-N
XLogP2.21
TPSA82.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-cyclopropyl-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid?
The IUPAC name of (3S,4S)-4-cyclopropyl-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid (CID 70742072) is (3S,4S)-4-cyclopropyl-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S,4S)-4-cyclopropyl-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S,4S)-4-cyclopropyl-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CN(Cc2ccc(-c3ccn[nH]3)o2)C[C@H]1C1CC1.
What is the InChIKey of (3S,4S)-4-cyclopropyl-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid?
The InChIKey is LZPWMVBTNWZNPS-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-16(21)13-9-19(8-12(13)10-1-2-10)7-11-3-4-15(22-11)14-5-6-17-18-14/h3-6,10,12-13H,1-2,7-9H2,(H,17,18)(H,20,21)/t12-,13+/m0/s1.
What are the key properties of (3S,4S)-4-cyclopropyl-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid?
(3S,4S)-4-cyclopropyl-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-cyclopropyl-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 70742072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).