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

C15H21N5OS — CID 56903128

IUPACN,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1ncsc1CCN(C)C(=O)c1n[nH]c2c1CN(C)CC2
InChIInChI=1S/C15H21N5OS/c1-10-13(22-9-16-10)5-7-20(3)15(21)14-11-8-19(2)6-4-12(11)17-18-14/h9H,4-8H2,1-3H3,(H,17,18)
InChIKeyMRFZSVVCKLRMID-UHFFFAOYSA-N
MW319.43 g/mol
LogP1.48
Rot. Bonds4

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

N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (PubChem CID 56903128) has the molecular formula C15H21N5OS and a molecular weight of 319.43 g/mol. Its IUPAC name is N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
PubChem CID56903128
Molecular FormulaC15H21N5OS
Molecular Weight319.43 g/mol
Exact Mass319.15
IUPAC NameN,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide
SMILESCc1ncsc1CCN(C)C(=O)c1n[nH]c2c1CN(C)CC2
InChIInChI=1S/C15H21N5OS/c1-10-13(22-9-16-10)5-7-20(3)15(21)14-11-8-19(2)6-4-12(11)17-18-14/h9H,4-8H2,1-3H3,(H,17,18)
InChIKeyMRFZSVVCKLRMID-UHFFFAOYSA-N
XLogP1.48
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The IUPAC name of N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide (CID 56903128) is N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The canonical SMILES for N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is Cc1ncsc1CCN(C)C(=O)c1n[nH]c2c1CN(C)CC2.
What is the InChIKey of N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
The InChIKey is MRFZSVVCKLRMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5OS/c1-10-13(22-9-16-10)5-7-20(3)15(21)14-11-8-19(2)6-4-12(11)17-18-14/h9H,4-8H2,1-3H3,(H,17,18).
What are the key properties of N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide?
N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxamide is sourced from PubChem (CID 56903128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).