ethyl 1-(cyclopropylmethyl)-5-(1H-pyrazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

C17H23N5O2 — CID 26228687

IUPACethyl 1-(cyclopropylmethyl)-5-(1H-pyrazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CC2CC2)c2c1CN(Cc1cn[nH]c1)CC2
InChIInChI=1S/C17H23N5O2/c1-2-24-17(23)16-14-11-21(9-13-7-18-19-8-13)6-5-15(14)22(20-16)10-12-3-4-12/h7-8,12H,2-6,9-11H2,1H3,(H,18,19)
InChIKeySPWFQOOOXUPKEC-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.75
Rot. Bonds6

About ethyl 1-(cyclopropylmethyl)-5-(1H-pyrazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate

ethyl 1-(cyclopropylmethyl)-5-(1H-pyrazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26228687) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is ethyl 1-(cyclopropylmethyl)-5-(1H-pyrazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclopropylmethyl)-5-(1H-pyrazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID26228687
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Nameethyl 1-(cyclopropylmethyl)-5-(1H-pyrazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CC2CC2)c2c1CN(Cc1cn[nH]c1)CC2
InChIInChI=1S/C17H23N5O2/c1-2-24-17(23)16-14-11-21(9-13-7-18-19-8-13)6-5-15(14)22(20-16)10-12-3-4-12/h7-8,12H,2-6,9-11H2,1H3,(H,18,19)
InChIKeySPWFQOOOXUPKEC-UHFFFAOYSA-N
XLogP1.75
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-(cyclopropylmethyl)-5-(1H-pyrazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 1-(3-methylbutyl)-5-[(5-methyl-1H-pyrazol-3-yl)carbonyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26140905
methyl 5-{[(1-ethyl-3-methyl-1H-pyrazol-4-yl)amino]carbonyl}-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 72925980
ethyl 5-(5-methyl-1H-pyrazole-3-carbonyl)-1-(3,3,3-trifluoropropyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26147727
ethyl 5-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26234712
(5R,7S)-N,5,7-trimethyl-N-[[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]methyl]-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 145910802
Methyl 5-[[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]methyl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
CID 166244175
ethyl 1-(cyclopropylmethyl)-5-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26136585
ethyl 1-benzyl-5-[(5-phenyl-1H-pyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 26225467
methyl 4-[[2-[3-(cyclopropylamino)-3-oxopropyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methyl]-1H-pyrazole-5-carboxylate
CID 72907906
ethyl 1-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
CID 56710111
ethyl 5-(1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate
CID 90036905
ethyl 6-(1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazol-4-yl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxylate
CID 90037531

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(cyclopropylmethyl)-5-(1H-pyrazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 1-(cyclopropylmethyl)-5-(1H-pyrazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26228687) is ethyl 1-(cyclopropylmethyl)-5-(1H-pyrazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(cyclopropylmethyl)-5-(1H-pyrazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(cyclopropylmethyl)-5-(1H-pyrazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(CC2CC2)c2c1CN(Cc1cn[nH]c1)CC2.
What is the InChIKey of ethyl 1-(cyclopropylmethyl)-5-(1H-pyrazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is SPWFQOOOXUPKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-2-24-17(23)16-14-11-21(9-13-7-18-19-8-13)6-5-15(14)22(20-16)10-12-3-4-12/h7-8,12H,2-6,9-11H2,1H3,(H,18,19).
What are the key properties of ethyl 1-(cyclopropylmethyl)-5-(1H-pyrazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 1-(cyclopropylmethyl)-5-(1H-pyrazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cyclopropylmethyl)-5-(1H-pyrazol-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26228687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).