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

C17H23N5O2 — CID 26147490

IUPACethyl 1-(cyclopropylmethyl)-5-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CC2CC2)c2c1CN(Cc1ccn[nH]1)CC2
InChIInChI=1S/C17H23N5O2/c1-2-24-17(23)16-14-11-21(10-13-5-7-18-19-13)8-6-15(14)22(20-16)9-12-3-4-12/h5,7,12H,2-4,6,8-11H2,1H3,(H,18,19)
InChIKeySAEQJYZWVOMLKX-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.75
Rot. Bonds6

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

ethyl 1-(cyclopropylmethyl)-5-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 26147490) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is ethyl 1-(cyclopropylmethyl)-5-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(cyclopropylmethyl)-5-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID26147490
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Nameethyl 1-(cyclopropylmethyl)-5-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCCOC(=O)c1nn(CC2CC2)c2c1CN(Cc1ccn[nH]1)CC2
InChIInChI=1S/C17H23N5O2/c1-2-24-17(23)16-14-11-21(10-13-5-7-18-19-13)8-6-15(14)22(20-16)9-12-3-4-12/h5,7,12H,2-4,6,8-11H2,1H3,(H,18,19)
InChIKeySAEQJYZWVOMLKX-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

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(cyclopropylmethyl)-5-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of ethyl 1-(cyclopropylmethyl)-5-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 26147490) is ethyl 1-(cyclopropylmethyl)-5-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-(cyclopropylmethyl)-5-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for ethyl 1-(cyclopropylmethyl)-5-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is CCOC(=O)c1nn(CC2CC2)c2c1CN(Cc1ccn[nH]1)CC2.
What is the InChIKey of ethyl 1-(cyclopropylmethyl)-5-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is SAEQJYZWVOMLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-2-24-17(23)16-14-11-21(10-13-5-7-18-19-13)8-6-15(14)22(20-16)9-12-3-4-12/h5,7,12H,2-4,6,8-11H2,1H3,(H,18,19).
What are the key properties of ethyl 1-(cyclopropylmethyl)-5-(1H-pyrazol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate?
ethyl 1-(cyclopropylmethyl)-5-(1H-pyrazol-5-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-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 26147490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).