(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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S,4R)-4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol
CID 56891453
N-[(3aS,5R,6R,7aR)-6-hydroxy-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]acetamide
CID 172665468
ethyl 4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine-1-carboxylate
CID 91786548
(3R,4R)-4-(azepan-1-yl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol
CID 42286515
(1S,5R)-6-(3-methylbut-2-enyl)-3-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 70785582
(4S)-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4-dihydro-1H-isoquinolin-4-ol
CID 96574645
[(3S,4S)-4-(morpholin-4-ylmethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol
CID 133132545
(1S,5R)-9-methyl-7-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-10-one
CID 135117329
1-cyclopentyl-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazin-2-one
CID 74231008
(3S,4S)-4-cyclopropyl-1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 72861162
N-[2-[4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]morpholin-2-yl]ethyl]acetamide
CID 56717740
(3S,4S)-4-cyclopropyl-1-[(4,6-dimethylpyrimidin-2-yl)methyl]pyrrolidine-3-carboxylic acid
CID 86283495

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).