N,N-dimethyl-5-[(3-methylthiophen-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

C15H20N4OS — CID 91904627

IUPACN,N-dimethyl-5-[(3-methylthiophen-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1ccsc1CN1CCc2[nH]nc(C(=O)N(C)C)c2C1
InChIInChI=1S/C15H20N4OS/c1-10-5-7-21-13(10)9-19-6-4-12-11(8-19)14(17-16-12)15(20)18(2)3/h5,7H,4,6,8-9H2,1-3H3,(H,16,17)
InChIKeyQXYIVNXEEMGJIL-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.04
Rot. Bonds3

About N,N-dimethyl-5-[(3-methylthiophen-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide

N,N-dimethyl-5-[(3-methylthiophen-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 91904627) has the molecular formula C15H20N4OS and a molecular weight of 304.42 g/mol. Its IUPAC name is N,N-dimethyl-5-[(3-methylthiophen-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-5-[(3-methylthiophen-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID91904627
Molecular FormulaC15H20N4OS
Molecular Weight304.42 g/mol
Exact Mass304.14
IUPAC NameN,N-dimethyl-5-[(3-methylthiophen-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1ccsc1CN1CCc2[nH]nc(C(=O)N(C)C)c2C1
InChIInChI=1S/C15H20N4OS/c1-10-5-7-21-13(10)9-19-6-4-12-11(8-19)14(17-16-12)15(20)18(2)3/h5,7H,4,6,8-9H2,1-3H3,(H,16,17)
InChIKeyQXYIVNXEEMGJIL-UHFFFAOYSA-N
XLogP2.04
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-5-[(3-methylthiophen-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-5-[(3-methylthiophen-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 91904627) is N,N-dimethyl-5-[(3-methylthiophen-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-5-[(3-methylthiophen-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-5-[(3-methylthiophen-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is Cc1ccsc1CN1CCc2[nH]nc(C(=O)N(C)C)c2C1.
What is the InChIKey of N,N-dimethyl-5-[(3-methylthiophen-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is QXYIVNXEEMGJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4OS/c1-10-5-7-21-13(10)9-19-6-4-12-11(8-19)14(17-16-12)15(20)18(2)3/h5,7H,4,6,8-9H2,1-3H3,(H,16,17).
What are the key properties of N,N-dimethyl-5-[(3-methylthiophen-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
N,N-dimethyl-5-[(3-methylthiophen-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-5-[(3-methylthiophen-2-yl)methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 91904627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).