N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C15H21N5O2 — CID 72928308

IUPACN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCOCc1cc(CN(C)C(=O)c2n[nH]c3c2CCCC3)[nH]n1
InChIInChI=1S/C15H21N5O2/c1-20(8-10-7-11(9-22-2)17-16-10)15(21)14-12-5-3-4-6-13(12)18-19-14/h7H,3-6,8-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyIKLBFVOBGZEUSA-UHFFFAOYSA-N
MW303.37 g/mol
LogP1.43
Rot. Bonds5

About N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 72928308) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID72928308
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESCOCc1cc(CN(C)C(=O)c2n[nH]c3c2CCCC3)[nH]n1
InChIInChI=1S/C15H21N5O2/c1-20(8-10-7-11(9-22-2)17-16-10)15(21)14-12-5-3-4-6-13(12)18-19-14/h7H,3-6,8-9H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyIKLBFVOBGZEUSA-UHFFFAOYSA-N
XLogP1.43
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 72928308) is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is COCc1cc(CN(C)C(=O)c2n[nH]c3c2CCCC3)[nH]n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is IKLBFVOBGZEUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-20(8-10-7-11(9-22-2)17-16-10)15(21)14-12-5-3-4-6-13(12)18-19-14/h7H,3-6,8-9H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-N-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 72928308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).