6-amino-4-(9-ethylcarbazol-3-yl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C23H21N5O2 — CID 2961901

IUPAC6-amino-4-(9-ethylcarbazol-3-yl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCn1c2ccccc2c2cc(C3C(C#N)=C(N)Oc4n[nH]c(COC)c43)ccc21
InChIInChI=1S/C23H21N5O2/c1-3-28-18-7-5-4-6-14(18)15-10-13(8-9-19(15)28)20-16(11-24)22(25)30-23-21(20)17(12-29-2)26-27-23/h4-10,20H,3,12,25H2,1-2H3,(H,26,27)
InChIKeyJUCITSRMUFYEPI-UHFFFAOYSA-N
MW399.45 g/mol
LogP3.90
Rot. Bonds4

About 6-amino-4-(9-ethylcarbazol-3-yl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-(9-ethylcarbazol-3-yl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 2961901) has the molecular formula C23H21N5O2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 6-amino-4-(9-ethylcarbazol-3-yl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(9-ethylcarbazol-3-yl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID2961901
Molecular FormulaC23H21N5O2
Molecular Weight399.45 g/mol
Exact Mass399.17
IUPAC Name6-amino-4-(9-ethylcarbazol-3-yl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCn1c2ccccc2c2cc(C3C(C#N)=C(N)Oc4n[nH]c(COC)c43)ccc21
InChIInChI=1S/C23H21N5O2/c1-3-28-18-7-5-4-6-14(18)15-10-13(8-9-19(15)28)20-16(11-24)22(25)30-23-21(20)17(12-29-2)26-27-23/h4-10,20H,3,12,25H2,1-2H3,(H,26,27)
InChIKeyJUCITSRMUFYEPI-UHFFFAOYSA-N
XLogP3.90
TPSA101.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(9-ethylcarbazol-3-yl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-(9-ethylcarbazol-3-yl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 2961901) is 6-amino-4-(9-ethylcarbazol-3-yl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(9-ethylcarbazol-3-yl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-(9-ethylcarbazol-3-yl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCn1c2ccccc2c2cc(C3C(C#N)=C(N)Oc4n[nH]c(COC)c43)ccc21.
What is the InChIKey of 6-amino-4-(9-ethylcarbazol-3-yl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is JUCITSRMUFYEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2/c1-3-28-18-7-5-4-6-14(18)15-10-13(8-9-19(15)28)20-16(11-24)22(25)30-23-21(20)17(12-29-2)26-27-23/h4-10,20H,3,12,25H2,1-2H3,(H,26,27).
What are the key properties of 6-amino-4-(9-ethylcarbazol-3-yl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-(9-ethylcarbazol-3-yl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 399.45 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(9-ethylcarbazol-3-yl)-3-(methoxymethyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 2961901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).