[1-(cyclopropylmethyl)pyrazol-4-yl]-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)methanone

C20H21N5O — CID 166248144

IUPAC[1-(cyclopropylmethyl)pyrazol-4-yl]-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1cnn(CC2CC2)c1)N1CCc2c(cnn2-c2ccccc2)C1
InChIInChI=1S/C20H21N5O/c26-20(17-11-21-24(14-17)12-15-6-7-15)23-9-8-19-16(13-23)10-22-25(19)18-4-2-1-3-5-18/h1-5,10-11,14-15H,6-9,12-13H2
InChIKeyOZDZQQYXNCVTAY-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.68
Rot. Bonds4

About [1-(cyclopropylmethyl)pyrazol-4-yl]-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)methanone

[1-(cyclopropylmethyl)pyrazol-4-yl]-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 166248144) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is [1-(cyclopropylmethyl)pyrazol-4-yl]-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[1-(cyclopropylmethyl)pyrazol-4-yl]-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID166248144
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name[1-(cyclopropylmethyl)pyrazol-4-yl]-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1cnn(CC2CC2)c1)N1CCc2c(cnn2-c2ccccc2)C1
InChIInChI=1S/C20H21N5O/c26-20(17-11-21-24(14-17)12-15-6-7-15)23-9-8-19-16(13-23)10-22-25(19)18-4-2-1-3-5-18/h1-5,10-11,14-15H,6-9,12-13H2
InChIKeyOZDZQQYXNCVTAY-UHFFFAOYSA-N
XLogP2.68
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclopropylmethyl)pyrazol-4-yl]-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [1-(cyclopropylmethyl)pyrazol-4-yl]-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)methanone (CID 166248144) is [1-(cyclopropylmethyl)pyrazol-4-yl]-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for [1-(cyclopropylmethyl)pyrazol-4-yl]-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [1-(cyclopropylmethyl)pyrazol-4-yl]-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)methanone is O=C(c1cnn(CC2CC2)c1)N1CCc2c(cnn2-c2ccccc2)C1.
What is the InChIKey of [1-(cyclopropylmethyl)pyrazol-4-yl]-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is OZDZQQYXNCVTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c26-20(17-11-21-24(14-17)12-15-6-7-15)23-9-8-19-16(13-23)10-22-25(19)18-4-2-1-3-5-18/h1-5,10-11,14-15H,6-9,12-13H2.
What are the key properties of [1-(cyclopropylmethyl)pyrazol-4-yl]-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)methanone?
[1-(cyclopropylmethyl)pyrazol-4-yl]-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 347.42 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclopropylmethyl)pyrazol-4-yl]-(1-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 166248144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).