N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;dihydrochloride

C13H22Cl2N4O2 — CID 154697746

IUPACN-[1-(methoxymethyl)cyclopropyl]-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;dihydrochloride
SMILESCOCC1(N(C)C(=O)c2n[nH]c3c2CNCC3)CC1.Cl.Cl
InChIInChI=1S/C13H20N4O2.2ClH/c1-17(13(4-5-13)8-19-2)12(18)11-9-7-14-6-3-10(9)15-16-11;;/h14H,3-8H2,1-2H3,(H,15,16);2*1H
InChIKeyOMCZQOKAEWCYLJ-UHFFFAOYSA-N
MW337.25 g/mol
LogP1.15
Rot. Bonds4

About N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;dihydrochloride

N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;dihydrochloride (PubChem CID 154697746) has the molecular formula C13H22Cl2N4O2 and a molecular weight of 337.25 g/mol. Its IUPAC name is N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[1-(methoxymethyl)cyclopropyl]-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;dihydrochloride
PubChem CID154697746
Molecular FormulaC13H22Cl2N4O2
Molecular Weight337.25 g/mol
Exact Mass336.11
IUPAC NameN-[1-(methoxymethyl)cyclopropyl]-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;dihydrochloride
SMILESCOCC1(N(C)C(=O)c2n[nH]c3c2CNCC3)CC1.Cl.Cl
InChIInChI=1S/C13H20N4O2.2ClH/c1-17(13(4-5-13)8-19-2)12(18)11-9-7-14-6-3-10(9)15-16-11;;/h14H,3-8H2,1-2H3,(H,15,16);2*1H
InChIKeyOMCZQOKAEWCYLJ-UHFFFAOYSA-N
XLogP1.15
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.25
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;dihydrochloride (CID 154697746) is N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;dihydrochloride is COCC1(N(C)C(=O)c2n[nH]c3c2CNCC3)CC1.Cl.Cl.
What is the InChIKey of N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;dihydrochloride?
The InChIKey is OMCZQOKAEWCYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2.2ClH/c1-17(13(4-5-13)8-19-2)12(18)11-9-7-14-6-3-10(9)15-16-11;;/h14H,3-8H2,1-2H3,(H,15,16);2*1H.
What are the key properties of N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;dihydrochloride?
N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;dihydrochloride has a molecular weight of 337.25 g/mol, XLogP of 1.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methoxymethyl)cyclopropyl]-N-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 154697746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).