N-(1-propan-2-ylpyrrolidin-3-yl)-2H-benzotriazole-5-carboxamide

C14H19N5O — CID 47441632

IUPACN-(1-propan-2-ylpyrrolidin-3-yl)-2H-benzotriazole-5-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2ccc3n[nH]nc3c2)C1
InChIInChI=1S/C14H19N5O/c1-9(2)19-6-5-11(8-19)15-14(20)10-3-4-12-13(7-10)17-18-16-12/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,15,20)(H,16,17,18)
InChIKeySACWRDOLURRAEB-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.17
Rot. Bonds3

About N-(1-propan-2-ylpyrrolidin-3-yl)-2H-benzotriazole-5-carboxamide

N-(1-propan-2-ylpyrrolidin-3-yl)-2H-benzotriazole-5-carboxamide (PubChem CID 47441632) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(1-propan-2-ylpyrrolidin-3-yl)-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-propan-2-ylpyrrolidin-3-yl)-2H-benzotriazole-5-carboxamide
PubChem CID47441632
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-(1-propan-2-ylpyrrolidin-3-yl)-2H-benzotriazole-5-carboxamide
SMILESCC(C)N1CCC(NC(=O)c2ccc3n[nH]nc3c2)C1
InChIInChI=1S/C14H19N5O/c1-9(2)19-6-5-11(8-19)15-14(20)10-3-4-12-13(7-10)17-18-16-12/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,15,20)(H,16,17,18)
InChIKeySACWRDOLURRAEB-UHFFFAOYSA-N
XLogP1.17
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-propan-2-ylpyrrolidin-3-yl)-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-(1-propan-2-ylpyrrolidin-3-yl)-2H-benzotriazole-5-carboxamide (CID 47441632) is N-(1-propan-2-ylpyrrolidin-3-yl)-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-(1-propan-2-ylpyrrolidin-3-yl)-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-(1-propan-2-ylpyrrolidin-3-yl)-2H-benzotriazole-5-carboxamide is CC(C)N1CCC(NC(=O)c2ccc3n[nH]nc3c2)C1.
What is the InChIKey of N-(1-propan-2-ylpyrrolidin-3-yl)-2H-benzotriazole-5-carboxamide?
The InChIKey is SACWRDOLURRAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-9(2)19-6-5-11(8-19)15-14(20)10-3-4-12-13(7-10)17-18-16-12/h3-4,7,9,11H,5-6,8H2,1-2H3,(H,15,20)(H,16,17,18).
What are the key properties of N-(1-propan-2-ylpyrrolidin-3-yl)-2H-benzotriazole-5-carboxamide?
N-(1-propan-2-ylpyrrolidin-3-yl)-2H-benzotriazole-5-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-propan-2-ylpyrrolidin-3-yl)-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 47441632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).