1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylpyrazole-4-carboxamide

C23H27N5O2 — CID 42363261

IUPAC1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(CCO)C(C)C)cnn1-c1ncc2c(n1)-c1ccccc1CCC2
InChIInChI=1S/C23H27N5O2/c1-15(2)27(11-12-29)22(30)20-14-25-28(16(20)3)23-24-13-18-9-6-8-17-7-4-5-10-19(17)21(18)26-23/h4-5,7,10,13-15,29H,6,8-9,11-12H2,1-3H3
InChIKeyHJNNISCBGKTFRH-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.97
Rot. Bonds5

About 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylpyrazole-4-carboxamide

1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylpyrazole-4-carboxamide (PubChem CID 42363261) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylpyrazole-4-carboxamide
PubChem CID42363261
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylpyrazole-4-carboxamide
SMILESCc1c(C(=O)N(CCO)C(C)C)cnn1-c1ncc2c(n1)-c1ccccc1CCC2
InChIInChI=1S/C23H27N5O2/c1-15(2)27(11-12-29)22(30)20-14-25-28(16(20)3)23-24-13-18-9-6-8-17-7-4-5-10-19(17)21(18)26-23/h4-5,7,10,13-15,29H,6,8-9,11-12H2,1-3H3
InChIKeyHJNNISCBGKTFRH-UHFFFAOYSA-N
XLogP2.97
TPSA84.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylpyrazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylpyrazole-4-carboxamide?
The IUPAC name of 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylpyrazole-4-carboxamide (CID 42363261) is 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylpyrazole-4-carboxamide is Cc1c(C(=O)N(CCO)C(C)C)cnn1-c1ncc2c(n1)-c1ccccc1CCC2.
What is the InChIKey of 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylpyrazole-4-carboxamide?
The InChIKey is HJNNISCBGKTFRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c1-15(2)27(11-12-29)22(30)20-14-25-28(16(20)3)23-24-13-18-9-6-8-17-7-4-5-10-19(17)21(18)26-23/h4-5,7,10,13-15,29H,6,8-9,11-12H2,1-3H3.
What are the key properties of 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylpyrazole-4-carboxamide?
1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylpyrazole-4-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-diazatricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaen-4-yl)-N-(2-hydroxyethyl)-5-methyl-N-propan-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 42363261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).