N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)-2-methylpyrazole-3-carboxamide

C22H23N5O2 — CID 70760119

IUPACN-(1-benzyl-6-propan-2-yloxyindazol-3-yl)-2-methylpyrazole-3-carboxamide
SMILESCC(C)Oc1ccc2c(NC(=O)c3ccnn3C)nn(Cc3ccccc3)c2c1
InChIInChI=1S/C22H23N5O2/c1-15(2)29-17-9-10-18-20(13-17)27(14-16-7-5-4-6-8-16)25-21(18)24-22(28)19-11-12-23-26(19)3/h4-13,15H,14H2,1-3H3,(H,24,25,28)
InChIKeySYEXZAGZZRGTDU-UHFFFAOYSA-N
MW389.46 g/mol
LogP3.86
Rot. Bonds6

About N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)-2-methylpyrazole-3-carboxamide

N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)-2-methylpyrazole-3-carboxamide (PubChem CID 70760119) has the molecular formula C22H23N5O2 and a molecular weight of 389.46 g/mol. Its IUPAC name is N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-6-propan-2-yloxyindazol-3-yl)-2-methylpyrazole-3-carboxamide
PubChem CID70760119
Molecular FormulaC22H23N5O2
Molecular Weight389.46 g/mol
Exact Mass389.19
IUPAC NameN-(1-benzyl-6-propan-2-yloxyindazol-3-yl)-2-methylpyrazole-3-carboxamide
SMILESCC(C)Oc1ccc2c(NC(=O)c3ccnn3C)nn(Cc3ccccc3)c2c1
InChIInChI=1S/C22H23N5O2/c1-15(2)29-17-9-10-18-20(13-17)27(14-16-7-5-4-6-8-16)25-21(18)24-22(28)19-11-12-23-26(19)3/h4-13,15H,14H2,1-3H3,(H,24,25,28)
InChIKeySYEXZAGZZRGTDU-UHFFFAOYSA-N
XLogP3.86
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)-2-methylpyrazole-3-carboxamide (CID 70760119) is N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)-2-methylpyrazole-3-carboxamide is CC(C)Oc1ccc2c(NC(=O)c3ccnn3C)nn(Cc3ccccc3)c2c1.
What is the InChIKey of N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)-2-methylpyrazole-3-carboxamide?
The InChIKey is SYEXZAGZZRGTDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O2/c1-15(2)29-17-9-10-18-20(13-17)27(14-16-7-5-4-6-8-16)25-21(18)24-22(28)19-11-12-23-26(19)3/h4-13,15H,14H2,1-3H3,(H,24,25,28).
What are the key properties of N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)-2-methylpyrazole-3-carboxamide?
N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)-2-methylpyrazole-3-carboxamide has a molecular weight of 389.46 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-6-propan-2-yloxyindazol-3-yl)-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 70760119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).