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

C19H27N5O2 — CID 26136585

IUPACethyl 1-(cyclopropylmethyl)-5-[(1,3-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CC2CC2)c2c1CN(Cc1cn(C)nc1C)CC2
InChIInChI=1S/C19H27N5O2/c1-4-26-19(25)18-16-12-23(11-15-10-22(3)20-13(15)2)8-7-17(16)24(21-18)9-14-5-6-14/h10,14H,4-9,11-12H2,1-3H3
InChIKeyXDWQHWFCRBOONN-UHFFFAOYSA-N
MW357.46 g/mol
LogP2.07
Rot. Bonds6

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

ethyl 1-(cyclopropylmethyl)-5-[(1,3-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26136585) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is ethyl 1-(cyclopropylmethyl)-5-[(1,3-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclopropylmethyl)-5-[(1,3-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID26136585
Molecular FormulaC19H27N5O2
Molecular Weight357.46 g/mol
Exact Mass357.22
IUPAC Nameethyl 1-(cyclopropylmethyl)-5-[(1,3-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CC2CC2)c2c1CN(Cc1cn(C)nc1C)CC2
InChIInChI=1S/C19H27N5O2/c1-4-26-19(25)18-16-12-23(11-15-10-22(3)20-13(15)2)8-7-17(16)24(21-18)9-14-5-6-14/h10,14H,4-9,11-12H2,1-3H3
InChIKeyXDWQHWFCRBOONN-UHFFFAOYSA-N
XLogP2.07
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(cyclopropylmethyl)-5-[(1,3-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 1-(cyclopropylmethyl)-5-[(1,3-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26136585) is ethyl 1-(cyclopropylmethyl)-5-[(1,3-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(cyclopropylmethyl)-5-[(1,3-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(cyclopropylmethyl)-5-[(1,3-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(CC2CC2)c2c1CN(Cc1cn(C)nc1C)CC2.
What is the InChIKey of ethyl 1-(cyclopropylmethyl)-5-[(1,3-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is XDWQHWFCRBOONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-4-26-19(25)18-16-12-23(11-15-10-22(3)20-13(15)2)8-7-17(16)24(21-18)9-14-5-6-14/h10,14H,4-9,11-12H2,1-3H3.
What are the key properties of ethyl 1-(cyclopropylmethyl)-5-[(1,3-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 1-(cyclopropylmethyl)-5-[(1,3-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 357.46 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(cyclopropylmethyl)-5-[(1,3-dimethylpyrazol-4-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26136585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).