1-(4-methylphenyl)-3-propoxypyrazole

C13H16N2O — CID 145188885

IUPAC1-(4-methylphenyl)-3-propoxypyrazole
SMILESCCCOc1ccn(-c2ccc(C)cc2)n1
InChIInChI=1S/C13H16N2O/c1-3-10-16-13-8-9-15(14-13)12-6-4-11(2)5-7-12/h4-9H,3,10H2,1-2H3
InChIKeyWNGXHIVHQCGKSP-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.97
Rot. Bonds4

About 1-(4-methylphenyl)-3-propoxypyrazole

1-(4-methylphenyl)-3-propoxypyrazole (PubChem CID 145188885) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(4-methylphenyl)-3-propoxypyrazole.

Molecular Properties

Compound Name1-(4-methylphenyl)-3-propoxypyrazole
PubChem CID145188885
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(4-methylphenyl)-3-propoxypyrazole
SMILESCCCOc1ccn(-c2ccc(C)cc2)n1
InChIInChI=1S/C13H16N2O/c1-3-10-16-13-8-9-15(14-13)12-6-4-11(2)5-7-12/h4-9H,3,10H2,1-2H3
InChIKeyWNGXHIVHQCGKSP-UHFFFAOYSA-N
XLogP2.97
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-5-methyl-N-[2-[1-(4-methylphenyl)pyrazol-3-yl]oxyethyl]pyrimidin-4-amine
CID 155086832
5-chloro-6-ethyl-N-[2-[1-(4-methylphenyl)pyrazol-3-yl]oxyethyl]pyrimidin-4-amine;1,2-dihydroperoxyethyne
CID 158672515
ethane;3-methyl-1-(4-methylphenyl)pyrazole
CID 123320873
3-(2-methoxyethoxy)-1-[4-(trifluoromethoxy)phenyl]pyrazole
CID 130222893
1,3-bis(4-methylphenyl)pyrazole
CID 163429464
1-(4-methylphenyl)-3-(trifluoromethyl)pyrazole
CID 66015733
1-methyl-5-methylidene-4-[3-methyl-2-[[1-(4-methylphenyl)pyrazol-3-yl]oxymethyl]phenyl]tetrazole
CID 153183690
2-methoxyimino-N,3-dimethyl-5-[1-(4-methylphenyl)pyrazol-3-yl]oxypent-3-enamide
CID 154088496
3-methyl-1-(4-methylphenyl)pyridazin-4-one
CID 66489916
2-[1-(4-chlorophenyl)pyrazol-3-yl]oxyacetaldehyde
CID 121269425
3-(3-ethoxypyrazol-1-yl)pyridine
CID 125454155
[4-(3-methoxypyrazol-1-yl)phenyl]methanamine
CID 129139799

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-3-propoxypyrazole?
The IUPAC name of 1-(4-methylphenyl)-3-propoxypyrazole (CID 145188885) is 1-(4-methylphenyl)-3-propoxypyrazole.
What is the SMILES notation for 1-(4-methylphenyl)-3-propoxypyrazole?
The canonical SMILES for 1-(4-methylphenyl)-3-propoxypyrazole is CCCOc1ccn(-c2ccc(C)cc2)n1.
What is the InChIKey of 1-(4-methylphenyl)-3-propoxypyrazole?
The InChIKey is WNGXHIVHQCGKSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-10-16-13-8-9-15(14-13)12-6-4-11(2)5-7-12/h4-9H,3,10H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-3-propoxypyrazole?
1-(4-methylphenyl)-3-propoxypyrazole has a molecular weight of 216.28 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-3-propoxypyrazole is sourced from PubChem (CID 145188885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).