4-(cyclohexylamino)-7-(1-methylpyrazol-4-yl)-9H-carbazole-1-carboxamide

C23H25N5O — CID 56676392

IUPAC4-(cyclohexylamino)-7-(1-methylpyrazol-4-yl)-9H-carbazole-1-carboxamide
SMILESCn1cc(-c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(NC4CCCCC4)c23)cn1
InChIInChI=1S/C23H25N5O/c1-28-13-15(12-25-28)14-7-8-17-20(11-14)27-22-18(23(24)29)9-10-19(21(17)22)26-16-5-3-2-4-6-16/h7-13,16,26-27H,2-6H2,1H3,(H2,24,29)
InChIKeyJPYCNAKIVUEACC-UHFFFAOYSA-N
MW387.49 g/mol
LogP4.57
Rot. Bonds4

About 4-(cyclohexylamino)-7-(1-methylpyrazol-4-yl)-9H-carbazole-1-carboxamide

4-(cyclohexylamino)-7-(1-methylpyrazol-4-yl)-9H-carbazole-1-carboxamide (PubChem CID 56676392) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 4-(cyclohexylamino)-7-(1-methylpyrazol-4-yl)-9H-carbazole-1-carboxamide.

Molecular Properties

Compound Name4-(cyclohexylamino)-7-(1-methylpyrazol-4-yl)-9H-carbazole-1-carboxamide
PubChem CID56676392
Molecular FormulaC23H25N5O
Molecular Weight387.49 g/mol
Exact Mass387.21
IUPAC Name4-(cyclohexylamino)-7-(1-methylpyrazol-4-yl)-9H-carbazole-1-carboxamide
SMILESCn1cc(-c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(NC4CCCCC4)c23)cn1
InChIInChI=1S/C23H25N5O/c1-28-13-15(12-25-28)14-7-8-17-20(11-14)27-22-18(23(24)29)9-10-19(21(17)22)26-16-5-3-2-4-6-16/h7-13,16,26-27H,2-6H2,1H3,(H2,24,29)
InChIKeyJPYCNAKIVUEACC-UHFFFAOYSA-N
XLogP4.57
TPSA88.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 54.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-7-(1-methylpyrazol-4-yl)-9H-carbazole-1-carboxamide?
The IUPAC name of 4-(cyclohexylamino)-7-(1-methylpyrazol-4-yl)-9H-carbazole-1-carboxamide (CID 56676392) is 4-(cyclohexylamino)-7-(1-methylpyrazol-4-yl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 4-(cyclohexylamino)-7-(1-methylpyrazol-4-yl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 4-(cyclohexylamino)-7-(1-methylpyrazol-4-yl)-9H-carbazole-1-carboxamide is Cn1cc(-c2ccc3c(c2)[nH]c2c(C(N)=O)ccc(NC4CCCCC4)c23)cn1.
What is the InChIKey of 4-(cyclohexylamino)-7-(1-methylpyrazol-4-yl)-9H-carbazole-1-carboxamide?
The InChIKey is JPYCNAKIVUEACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-28-13-15(12-25-28)14-7-8-17-20(11-14)27-22-18(23(24)29)9-10-19(21(17)22)26-16-5-3-2-4-6-16/h7-13,16,26-27H,2-6H2,1H3,(H2,24,29).
What are the key properties of 4-(cyclohexylamino)-7-(1-methylpyrazol-4-yl)-9H-carbazole-1-carboxamide?
4-(cyclohexylamino)-7-(1-methylpyrazol-4-yl)-9H-carbazole-1-carboxamide has a molecular weight of 387.49 g/mol, XLogP of 4.57, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-7-(1-methylpyrazol-4-yl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 56676392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).