3-methoxy-1-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrazole-4-carboxamide

C15H21N5O2 — CID 90613755

IUPAC3-methoxy-1-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCCn1ncc2c1CCCC2
InChIInChI=1S/C15H21N5O2/c1-19-10-12(15(18-19)22-2)14(21)16-7-8-20-13-6-4-3-5-11(13)9-17-20/h9-10H,3-8H2,1-2H3,(H,16,21)
InChIKeyNJUWVCPBFVVBSK-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.93
Rot. Bonds5

About 3-methoxy-1-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrazole-4-carboxamide

3-methoxy-1-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 90613755) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-methoxy-1-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-1-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrazole-4-carboxamide
PubChem CID90613755
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name3-methoxy-1-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NCCn1ncc2c1CCCC2
InChIInChI=1S/C15H21N5O2/c1-19-10-12(15(18-19)22-2)14(21)16-7-8-20-13-6-4-3-5-11(13)9-17-20/h9-10H,3-8H2,1-2H3,(H,16,21)
InChIKeyNJUWVCPBFVVBSK-UHFFFAOYSA-N
XLogP0.93
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,3,4-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613867
2-chloro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613758
3,4,5-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613866
3,4-dimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613816
2,4-dichloro-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613838
2-ethyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]butanamide
CID 90613712
2-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]propanamide
CID 90613700
4-phenyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613849
2-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 90613797
N-[2-[6-ethylsulfanyl-4-(2-methylpropylamino)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 45497708
3-methoxy-1-methyl-N-[2-[(6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]pyrazole-4-carboxamide
CID 122327582
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 121091971

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-1-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrazole-4-carboxamide (CID 90613755) is 3-methoxy-1-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-1-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-1-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrazole-4-carboxamide is COc1nn(C)cc1C(=O)NCCn1ncc2c1CCCC2.
What is the InChIKey of 3-methoxy-1-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is NJUWVCPBFVVBSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-19-10-12(15(18-19)22-2)14(21)16-7-8-20-13-6-4-3-5-11(13)9-17-20/h9-10H,3-8H2,1-2H3,(H,16,21).
What are the key properties of 3-methoxy-1-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrazole-4-carboxamide?
3-methoxy-1-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-methyl-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 90613755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).