tert-butyl 2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate

C15H23N3O2 — CID 129261973

IUPACtert-butyl 2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2cn(CC3CC3)nc2C1
InChIInChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)17-7-6-12-9-18(8-11-4-5-11)16-13(12)10-17/h9,11H,4-8,10H2,1-3H3
InChIKeyNNHIECINFVHKIP-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.59
Rot. Bonds2

About tert-butyl 2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate

tert-butyl 2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate (PubChem CID 129261973) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is tert-butyl 2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate
PubChem CID129261973
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Nametert-butyl 2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate
SMILESCC(C)(C)OC(=O)N1CCc2cn(CC3CC3)nc2C1
InChIInChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)17-7-6-12-9-18(8-11-4-5-11)16-13(12)10-17/h9,11H,4-8,10H2,1-3H3
InChIKeyNNHIECINFVHKIP-UHFFFAOYSA-N
XLogP2.59
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-(2-methylprop-2-enyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 126837308
tert-butyl 1-(thian-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylate;tert-butyl 2-(thian-4-yl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate
CID 158578133
tert-butyl 7-(cyclopropylmethylamino)-3,4-dihydro-1H-isoquinoline-2-carboxylate
CID 103773145
tert-butyl 3-oxo-2,5,6,8-tetrahydropyrido[3,4-c]pyridazine-7-carboxylate
CID 71711052
7-[(2-methylpropan-2-yl)oxycarbonyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2-carboxylic acid
CID 83920680
7-O-tert-butyl 3-O-methyl 6,8-dihydro-5H-1,7-naphthyridine-3,7-dicarboxylate
CID 53446461
tert-butyl 2-sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
CID 169217625
tert-butyl 6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine-5-carboxylate
CID 102132128
tert-butyl 3-(methoxymethylcarbamoyl)-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate
CID 170992073
tert-butyl 3-ethyl-6,8-dihydro-5H-1,7-naphthyridine-7-carboxylate;carbon dioxide
CID 160686710
tert-butyl 2-[(3-chlorophenyl)methyl]-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate
CID 155591357
tert-butyl 3-[(4-fluoropyrazol-1-yl)methyl]piperidine-1-carboxylate
CID 139500307

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate?
The IUPAC name of tert-butyl 2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate (CID 129261973) is tert-butyl 2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate.
What is the SMILES notation for tert-butyl 2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate?
The canonical SMILES for tert-butyl 2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate is CC(C)(C)OC(=O)N1CCc2cn(CC3CC3)nc2C1.
What is the InChIKey of tert-butyl 2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate?
The InChIKey is NNHIECINFVHKIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-15(2,3)20-14(19)17-7-6-12-9-18(8-11-4-5-11)16-13(12)10-17/h9,11H,4-8,10H2,1-3H3.
What are the key properties of tert-butyl 2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate?
tert-butyl 2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate has a molecular weight of 277.37 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(cyclopropylmethyl)-5,7-dihydro-4H-pyrazolo[3,4-c]pyridine-6-carboxylate is sourced from PubChem (CID 129261973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).