3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanoic acid

C12H18N2O3 — CID 172908850

IUPAC3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanoic acid
SMILESCCCn1nc(CCC(=O)O)c2c1CCOC2
InChIInChI=1S/C12H18N2O3/c1-2-6-14-11-5-7-17-8-9(11)10(13-14)3-4-12(15)16/h2-8H2,1H3,(H,15,16)
InChIKeyFSYLSGFRQWJWCM-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.38
Rot. Bonds5

About 3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanoic acid

3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanoic acid (PubChem CID 172908850) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanoic acid
PubChem CID172908850
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanoic acid
SMILESCCCn1nc(CCC(=O)O)c2c1CCOC2
InChIInChI=1S/C12H18N2O3/c1-2-6-14-11-5-7-17-8-9(11)10(13-14)3-4-12(15)16/h2-8H2,1H3,(H,15,16)
InChIKeyFSYLSGFRQWJWCM-UHFFFAOYSA-N
XLogP1.38
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylpiperidin-4-yl)ethyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
CID 154579004
N-[(3-methylphenyl)methyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
CID 154578982
N-(2-methylbutan-2-yl)-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
CID 146071181
3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)-1-morpholin-4-ylpropan-1-one
CID 146072644
1-(azepan-1-yl)-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propan-1-one
CID 146071198
3-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]-N-(thiophen-2-ylmethyl)propanamide
CID 154579107
N-cycloheptyl-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
CID 146072632
N-[2-(1H-indol-3-yl)ethyl]-3-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]propanamide
CID 154579102
4-propyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide
CID 90615521
3-chloro-4-fluoro-N-[2-[1-(2-methoxyethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]ethyl]benzamide
CID 146073485
3-[1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propanamide
CID 154579051
N-[2-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)ethyl]-2-phenylpropanamide
CID 146073424

Frequently Asked Questions

What is the IUPAC name of 3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanoic acid?
The IUPAC name of 3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanoic acid (CID 172908850) is 3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanoic acid.
What is the SMILES notation for 3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanoic acid?
The canonical SMILES for 3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanoic acid is CCCn1nc(CCC(=O)O)c2c1CCOC2.
What is the InChIKey of 3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanoic acid?
The InChIKey is FSYLSGFRQWJWCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-2-6-14-11-5-7-17-8-9(11)10(13-14)3-4-12(15)16/h2-8H2,1H3,(H,15,16).
What are the key properties of 3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanoic acid?
3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanoic acid has a molecular weight of 238.29 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanoic acid is sourced from PubChem (CID 172908850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).