5-amino-N-(2-carbazol-9-ylethyl)-1,3-dimethylpyrazole-4-carboxamide

C20H21N5O — CID 122158432

IUPAC5-amino-N-(2-carbazol-9-ylethyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(N)c1C(=O)NCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C20H21N5O/c1-13-18(19(21)24(2)23-13)20(26)22-11-12-25-16-9-5-3-7-14(16)15-8-4-6-10-17(15)25/h3-10H,11-12,21H2,1-2H3,(H,22,26)
InChIKeyOWGRDNRZVPCTFY-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.85
Rot. Bonds4

About 5-amino-N-(2-carbazol-9-ylethyl)-1,3-dimethylpyrazole-4-carboxamide

5-amino-N-(2-carbazol-9-ylethyl)-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 122158432) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 5-amino-N-(2-carbazol-9-ylethyl)-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-carbazol-9-ylethyl)-1,3-dimethylpyrazole-4-carboxamide
PubChem CID122158432
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name5-amino-N-(2-carbazol-9-ylethyl)-1,3-dimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(N)c1C(=O)NCCn1c2ccccc2c2ccccc21
InChIInChI=1S/C20H21N5O/c1-13-18(19(21)24(2)23-13)20(26)22-11-12-25-16-9-5-3-7-14(16)15-8-4-6-10-17(15)25/h3-10H,11-12,21H2,1-2H3,(H,22,26)
InChIKeyOWGRDNRZVPCTFY-UHFFFAOYSA-N
XLogP2.85
TPSA77.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-carbazol-9-ylethyl)-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2-carbazol-9-ylethyl)-1,3-dimethylpyrazole-4-carboxamide (CID 122158432) is 5-amino-N-(2-carbazol-9-ylethyl)-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2-carbazol-9-ylethyl)-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2-carbazol-9-ylethyl)-1,3-dimethylpyrazole-4-carboxamide is Cc1nn(C)c(N)c1C(=O)NCCn1c2ccccc2c2ccccc21.
What is the InChIKey of 5-amino-N-(2-carbazol-9-ylethyl)-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is OWGRDNRZVPCTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-13-18(19(21)24(2)23-13)20(26)22-11-12-25-16-9-5-3-7-14(16)15-8-4-6-10-17(15)25/h3-10H,11-12,21H2,1-2H3,(H,22,26).
What are the key properties of 5-amino-N-(2-carbazol-9-ylethyl)-1,3-dimethylpyrazole-4-carboxamide?
5-amino-N-(2-carbazol-9-ylethyl)-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-carbazol-9-ylethyl)-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 122158432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).