5-(2-methoxyethyl)-4-propan-2-yl-1H-pyrazole

C9H16N2O — CID 90690538

IUPAC5-(2-methoxyethyl)-4-propan-2-yl-1H-pyrazole
SMILESCOCCc1[nH]ncc1C(C)C
InChIInChI=1S/C9H16N2O/c1-7(2)8-6-10-11-9(8)4-5-12-3/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyPSAMEGIOZNKZGF-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.72
Rot. Bonds4

About 5-(2-methoxyethyl)-4-propan-2-yl-1H-pyrazole

5-(2-methoxyethyl)-4-propan-2-yl-1H-pyrazole (PubChem CID 90690538) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-(2-methoxyethyl)-4-propan-2-yl-1H-pyrazole.

Molecular Properties

Compound Name5-(2-methoxyethyl)-4-propan-2-yl-1H-pyrazole
PubChem CID90690538
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name5-(2-methoxyethyl)-4-propan-2-yl-1H-pyrazole
SMILESCOCCc1[nH]ncc1C(C)C
InChIInChI=1S/C9H16N2O/c1-7(2)8-6-10-11-9(8)4-5-12-3/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKeyPSAMEGIOZNKZGF-UHFFFAOYSA-N
XLogP1.72
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(tert-Butyl)-5-isopropyl-1H-pyrazole
CID 45096290
5-[(R)-fluoro(oxetan-3-yl)methyl]-4-(trifluoromethyl)-1H-pyrazole
CID 175875310
5-[(S)-fluoro(oxetan-3-yl)methyl]-4-(trifluoromethyl)-1H-pyrazole
CID 175875549
5-[1-(ethoxymethyl)cyclopropyl]-4-fluoro-1H-pyrazole
CID 176568097
5-(1-methoxy-2-methylpropan-2-yl)-1H-pyrazole
CID 91529023
methyl 3-(3-(trifluoromethyl)-1H-pyrazol-4-yl)propanimidate
CID 121213234
4-fluoro-5-[1-(methoxymethyl)cyclopropyl]-1H-pyrazole
CID 170601575
4-ethyl-5-propan-2-yl-1H-pyrazole
CID 10510922
4-Ethyl-5-isobutyl-1H-pyrazole
CID 10844578
6,6-dimethyl-4,7-dihydro-1H-pyrano[3,4-d]pyrazole
CID 12217000
4,5-di(propan-2-yl)-1H-pyrazole
CID 18735016
4-(oxan-3-yl)-5-propyl-1H-pyrazole
CID 53826315

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethyl)-4-propan-2-yl-1H-pyrazole?
The IUPAC name of 5-(2-methoxyethyl)-4-propan-2-yl-1H-pyrazole (CID 90690538) is 5-(2-methoxyethyl)-4-propan-2-yl-1H-pyrazole.
What is the SMILES notation for 5-(2-methoxyethyl)-4-propan-2-yl-1H-pyrazole?
The canonical SMILES for 5-(2-methoxyethyl)-4-propan-2-yl-1H-pyrazole is COCCc1[nH]ncc1C(C)C.
What is the InChIKey of 5-(2-methoxyethyl)-4-propan-2-yl-1H-pyrazole?
The InChIKey is PSAMEGIOZNKZGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-7(2)8-6-10-11-9(8)4-5-12-3/h6-7H,4-5H2,1-3H3,(H,10,11).
What are the key properties of 5-(2-methoxyethyl)-4-propan-2-yl-1H-pyrazole?
5-(2-methoxyethyl)-4-propan-2-yl-1H-pyrazole has a molecular weight of 168.24 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethyl)-4-propan-2-yl-1H-pyrazole is sourced from PubChem (CID 90690538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).