N-(2-aminoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

C21H22N4O2 — CID 155520144

IUPACN-(2-aminoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCn1nc(C(=O)N(CCN)Cc2ccccc2)c2c1-c1ccccc1OC2
InChIInChI=1S/C21H22N4O2/c1-24-20-16-9-5-6-10-18(16)27-14-17(20)19(23-24)21(26)25(12-11-22)13-15-7-3-2-4-8-15/h2-10H,11-14,22H2,1H3
InChIKeyNPZOLEBIGLVKET-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.58
Rot. Bonds5

About N-(2-aminoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide

N-(2-aminoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (PubChem CID 155520144) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
PubChem CID155520144
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(2-aminoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide
SMILESCn1nc(C(=O)N(CCN)Cc2ccccc2)c2c1-c1ccccc1OC2
InChIInChI=1S/C21H22N4O2/c1-24-20-16-9-5-6-10-18(16)27-14-17(20)19(23-24)21(26)25(12-11-22)13-15-7-3-2-4-8-15/h2-10H,11-14,22H2,1H3
InChIKeyNPZOLEBIGLVKET-UHFFFAOYSA-N
XLogP2.58
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide (CID 155520144) is N-(2-aminoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is Cn1nc(C(=O)N(CCN)Cc2ccccc2)c2c1-c1ccccc1OC2.
What is the InChIKey of N-(2-aminoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
The InChIKey is NPZOLEBIGLVKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-24-20-16-9-5-6-10-18(16)27-14-17(20)19(23-24)21(26)25(12-11-22)13-15-7-3-2-4-8-15/h2-10H,11-14,22H2,1H3.
What are the key properties of N-(2-aminoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide?
N-(2-aminoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-benzyl-1-methyl-4H-chromeno[3,4-d]pyrazole-3-carboxamide is sourced from PubChem (CID 155520144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).