1-phenyl-4-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole

C16H18N4O — CID 116804941

IUPAC1-phenyl-4-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole
SMILESCCCn1cc(OCc2cnn(-c3ccccc3)c2)cn1
InChIInChI=1S/C16H18N4O/c1-2-8-19-12-16(10-17-19)21-13-14-9-18-20(11-14)15-6-4-3-5-7-15/h3-7,9-12H,2,8,13H2,1H3
InChIKeySGLNWCQCBOTCEC-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.06
Rot. Bonds6

About 1-phenyl-4-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole

1-phenyl-4-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole (PubChem CID 116804941) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is 1-phenyl-4-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole.

Molecular Properties

Compound Name1-phenyl-4-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole
PubChem CID116804941
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name1-phenyl-4-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole
SMILESCCCn1cc(OCc2cnn(-c3ccccc3)c2)cn1
InChIInChI=1S/C16H18N4O/c1-2-8-19-12-16(10-17-19)21-13-14-9-18-20(11-14)15-6-4-3-5-7-15/h3-7,9-12H,2,8,13H2,1H3
InChIKeySGLNWCQCBOTCEC-UHFFFAOYSA-N
XLogP3.06
TPSA44.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-phenyl-4-[(1-propylpyrazol-4-yl)oxymethyl]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

4-[(4-methylphenoxy)methyl]-1-phenylpyrazole
CID 60710496
4-[(4-bromophenoxy)methyl]-1-phenylpyrazole
CID 43090504
4-[(4-chlorophenoxy)methyl]-1-phenylpyrazole
CID 60710740
4-[(4-fluorophenyl)methoxy]-1-phenylpyrazole
CID 117234072
1-ethyl-4-[(1-ethylpyrazol-4-yl)methoxy]pyrazole
CID 116804612
1-phenyl-4-propylpyrazole
CID 12902534
2-[(1-phenylpyrazol-4-yl)methoxy]phenol
CID 43332182
3-chloro-5-[(1-phenylpyrazol-4-yl)methoxy]pyridazine
CID 171090153
2-[(1-propylpyrazol-4-yl)oxymethyl]imidazo[1,2-a]pyridine
CID 116804906
4-propoxy-1-propylpyrazole
CID 116805185
6-[(1-propylpyrazol-4-yl)oxymethyl]quinoline
CID 116804981
2-[4-[(1-propylpyrazol-4-yl)oxymethyl]phenyl]propan-1-amine
CID 105351322

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole?
The IUPAC name of 1-phenyl-4-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole (CID 116804941) is 1-phenyl-4-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole.
What is the SMILES notation for 1-phenyl-4-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole?
The canonical SMILES for 1-phenyl-4-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole is CCCn1cc(OCc2cnn(-c3ccccc3)c2)cn1.
What is the InChIKey of 1-phenyl-4-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole?
The InChIKey is SGLNWCQCBOTCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O/c1-2-8-19-12-16(10-17-19)21-13-14-9-18-20(11-14)15-6-4-3-5-7-15/h3-7,9-12H,2,8,13H2,1H3.
What are the key properties of 1-phenyl-4-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole?
1-phenyl-4-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole has a molecular weight of 282.35 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-[(1-propylpyrazol-4-yl)oxymethyl]pyrazole is sourced from PubChem (CID 116804941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).