(Z)-[1-(4-chlorophenyl)-5-methylidene-3-(oxan-4-yl)pyrazol-4-ylidene]methanamine

C16H18ClN3O — CID 144756230

IUPAC(Z)-[1-(4-chlorophenyl)-5-methylidene-3-(oxan-4-yl)pyrazol-4-ylidene]methanamine
SMILESC=c1/c(=C/N)c(C2CCOCC2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3O/c1-11-15(10-18)16(12-6-8-21-9-7-12)19-20(11)14-4-2-13(17)3-5-14/h2-5,10,12H,1,6-9,18H2/b15-10-
InChIKeyOUTAYNKFSGMNDP-GDNBJRDFSA-N
MW303.79 g/mol
LogP1.53
Rot. Bonds2

About (Z)-[1-(4-chlorophenyl)-5-methylidene-3-(oxan-4-yl)pyrazol-4-ylidene]methanamine

(Z)-[1-(4-chlorophenyl)-5-methylidene-3-(oxan-4-yl)pyrazol-4-ylidene]methanamine (PubChem CID 144756230) has the molecular formula C16H18ClN3O and a molecular weight of 303.79 g/mol. Its IUPAC name is (Z)-[1-(4-chlorophenyl)-5-methylidene-3-(oxan-4-yl)pyrazol-4-ylidene]methanamine.

Molecular Properties

Compound Name(Z)-[1-(4-chlorophenyl)-5-methylidene-3-(oxan-4-yl)pyrazol-4-ylidene]methanamine
PubChem CID144756230
Molecular FormulaC16H18ClN3O
Molecular Weight303.79 g/mol
Exact Mass303.11
IUPAC Name(Z)-[1-(4-chlorophenyl)-5-methylidene-3-(oxan-4-yl)pyrazol-4-ylidene]methanamine
SMILESC=c1/c(=C/N)c(C2CCOCC2)nn1-c1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3O/c1-11-15(10-18)16(12-6-8-21-9-7-12)19-20(11)14-4-2-13(17)3-5-14/h2-5,10,12H,1,6-9,18H2/b15-10-
InChIKeyOUTAYNKFSGMNDP-GDNBJRDFSA-N
XLogP1.53
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.79
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (Z)-[1-(4-chlorophenyl)-5-methylidene-3-(oxan-4-yl)pyrazol-4-ylidene]methanamine?
The IUPAC name of (Z)-[1-(4-chlorophenyl)-5-methylidene-3-(oxan-4-yl)pyrazol-4-ylidene]methanamine (CID 144756230) is (Z)-[1-(4-chlorophenyl)-5-methylidene-3-(oxan-4-yl)pyrazol-4-ylidene]methanamine.
What is the SMILES notation for (Z)-[1-(4-chlorophenyl)-5-methylidene-3-(oxan-4-yl)pyrazol-4-ylidene]methanamine?
The canonical SMILES for (Z)-[1-(4-chlorophenyl)-5-methylidene-3-(oxan-4-yl)pyrazol-4-ylidene]methanamine is C=c1/c(=C/N)c(C2CCOCC2)nn1-c1ccc(Cl)cc1.
What is the InChIKey of (Z)-[1-(4-chlorophenyl)-5-methylidene-3-(oxan-4-yl)pyrazol-4-ylidene]methanamine?
The InChIKey is OUTAYNKFSGMNDP-GDNBJRDFSA-N. The full InChI is InChI=1S/C16H18ClN3O/c1-11-15(10-18)16(12-6-8-21-9-7-12)19-20(11)14-4-2-13(17)3-5-14/h2-5,10,12H,1,6-9,18H2/b15-10-.
What are the key properties of (Z)-[1-(4-chlorophenyl)-5-methylidene-3-(oxan-4-yl)pyrazol-4-ylidene]methanamine?
(Z)-[1-(4-chlorophenyl)-5-methylidene-3-(oxan-4-yl)pyrazol-4-ylidene]methanamine has a molecular weight of 303.79 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-[1-(4-chlorophenyl)-5-methylidene-3-(oxan-4-yl)pyrazol-4-ylidene]methanamine is sourced from PubChem (CID 144756230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).