5-[[(1R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-1H-pyrazole

C11H16N2O — CID 134393599

IUPAC5-[[(1R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-1H-pyrazole
SMILESc1cc(OCC2C[C@H]3CC[C@@H]2C3)[nH]n1
InChIInChI=1S/C11H16N2O/c1-2-9-5-8(1)6-10(9)7-14-11-3-4-12-13-11/h3-4,8-10H,1-2,5-7H2,(H,12,13)/t8-,9+,10?/m0/s1
InChIKeyDWGIOGUFDIXUIH-QIIDTADFSA-N
MW192.26 g/mol
LogP2.22
Rot. Bonds3

About 5-[[(1R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-1H-pyrazole

5-[[(1R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-1H-pyrazole (PubChem CID 134393599) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 5-[[(1R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-1H-pyrazole.

Molecular Properties

Compound Name5-[[(1R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-1H-pyrazole
PubChem CID134393599
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name5-[[(1R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-1H-pyrazole
SMILESc1cc(OCC2C[C@H]3CC[C@@H]2C3)[nH]n1
InChIInChI=1S/C11H16N2O/c1-2-9-5-8(1)6-10(9)7-14-11-3-4-12-13-11/h3-4,8-10H,1-2,5-7H2,(H,12,13)/t8-,9+,10?/m0/s1
InChIKeyDWGIOGUFDIXUIH-QIIDTADFSA-N
XLogP2.22
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[[(1R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-1H-pyrazole 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

CID 134587396
CID 134587396
CID 173542555
CID 173542555
CID 134393593
CID 134393593
CID 134393609
CID 134393609
CID 134393614
CID 134393614
CID 134398749
CID 134398749
CID 134398837
CID 134398837
CID 134398872
CID 134398872
CID 134399010
CID 134399010
CID 134399319
CID 134399319
CID 134587342
CID 134587342
CID 134587383
CID 134587383

Frequently Asked Questions

What is the IUPAC name of 5-[[(1R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-1H-pyrazole?
The IUPAC name of 5-[[(1R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-1H-pyrazole (CID 134393599) is 5-[[(1R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-1H-pyrazole.
What is the SMILES notation for 5-[[(1R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-1H-pyrazole?
The canonical SMILES for 5-[[(1R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-1H-pyrazole is c1cc(OCC2C[C@H]3CC[C@@H]2C3)[nH]n1.
What is the InChIKey of 5-[[(1R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-1H-pyrazole?
The InChIKey is DWGIOGUFDIXUIH-QIIDTADFSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-9-5-8(1)6-10(9)7-14-11-3-4-12-13-11/h3-4,8-10H,1-2,5-7H2,(H,12,13)/t8-,9+,10?/m0/s1.
What are the key properties of 5-[[(1R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-1H-pyrazole?
5-[[(1R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-1H-pyrazole has a molecular weight of 192.26 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1R,4S)-2-bicyclo[2.2.1]heptanyl]methoxy]-1H-pyrazole is sourced from PubChem (CID 134393599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).