N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-methyl-1H-indene-2-carboxamide

C21H18N6O — CID 3306625

IUPACN-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-methyl-1H-indene-2-carboxamide
SMILESCC1=C(C(=O)Nc2cnn(Cn3nnc4ccccc43)c2)Cc2ccccc21
InChIInChI=1S/C21H18N6O/c1-14-17-7-3-2-6-15(17)10-18(14)21(28)23-16-11-22-26(12-16)13-27-20-9-5-4-8-19(20)24-25-27/h2-9,11-12H,10,13H2,1H3,(H,23,28)
InChIKeyZMXPVOZRTIDGNX-UHFFFAOYSA-N
MW370.42 g/mol
LogP3.10
Rot. Bonds4

About N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-methyl-1H-indene-2-carboxamide

N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-methyl-1H-indene-2-carboxamide (PubChem CID 3306625) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-methyl-1H-indene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-methyl-1H-indene-2-carboxamide
PubChem CID3306625
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC NameN-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-methyl-1H-indene-2-carboxamide
SMILESCC1=C(C(=O)Nc2cnn(Cn3nnc4ccccc43)c2)Cc2ccccc21
InChIInChI=1S/C21H18N6O/c1-14-17-7-3-2-6-15(17)10-18(14)21(28)23-16-11-22-26(12-16)13-27-20-9-5-4-8-19(20)24-25-27/h2-9,11-12H,10,13H2,1H3,(H,23,28)
InChIKeyZMXPVOZRTIDGNX-UHFFFAOYSA-N
XLogP3.10
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-methyl-1H-indene-2-carboxamide?
The IUPAC name of N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-methyl-1H-indene-2-carboxamide (CID 3306625) is N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-methyl-1H-indene-2-carboxamide.
What is the SMILES notation for N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-methyl-1H-indene-2-carboxamide?
The canonical SMILES for N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-methyl-1H-indene-2-carboxamide is CC1=C(C(=O)Nc2cnn(Cn3nnc4ccccc43)c2)Cc2ccccc21.
What is the InChIKey of N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-methyl-1H-indene-2-carboxamide?
The InChIKey is ZMXPVOZRTIDGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c1-14-17-7-3-2-6-15(17)10-18(14)21(28)23-16-11-22-26(12-16)13-27-20-9-5-4-8-19(20)24-25-27/h2-9,11-12H,10,13H2,1H3,(H,23,28).
What are the key properties of N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-methyl-1H-indene-2-carboxamide?
N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-methyl-1H-indene-2-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(benzotriazol-1-ylmethyl)pyrazol-4-yl]-3-methyl-1H-indene-2-carboxamide is sourced from PubChem (CID 3306625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).