[1-(2,4-dichlorophenyl)pyrazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone

C16H13Cl2N5O — CID 86859603

IUPAC[1-(2,4-dichlorophenyl)pyrazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1cnn(-c2ccc(Cl)cc2Cl)c1)N1CCc2[nH]ncc2C1
InChIInChI=1S/C16H13Cl2N5O/c17-12-1-2-15(13(18)5-12)23-9-11(7-20-23)16(24)22-4-3-14-10(8-22)6-19-21-14/h1-2,5-7,9H,3-4,8H2,(H,19,21)
InChIKeyYLYRUCBFEFWTBN-UHFFFAOYSA-N
MW362.22 g/mol
LogP3.10
Rot. Bonds2

About [1-(2,4-dichlorophenyl)pyrazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone

[1-(2,4-dichlorophenyl)pyrazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone (PubChem CID 86859603) has the molecular formula C16H13Cl2N5O and a molecular weight of 362.22 g/mol. Its IUPAC name is [1-(2,4-dichlorophenyl)pyrazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[1-(2,4-dichlorophenyl)pyrazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
PubChem CID86859603
Molecular FormulaC16H13Cl2N5O
Molecular Weight362.22 g/mol
Exact Mass361.05
IUPAC Name[1-(2,4-dichlorophenyl)pyrazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone
SMILESO=C(c1cnn(-c2ccc(Cl)cc2Cl)c1)N1CCc2[nH]ncc2C1
InChIInChI=1S/C16H13Cl2N5O/c17-12-1-2-15(13(18)5-12)23-9-11(7-20-23)16(24)22-4-3-14-10(8-22)6-19-21-14/h1-2,5-7,9H,3-4,8H2,(H,19,21)
InChIKeyYLYRUCBFEFWTBN-UHFFFAOYSA-N
XLogP3.10
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-(2,4-dichlorophenyl)pyrazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of [1-(2,4-dichlorophenyl)pyrazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone (CID 86859603) is [1-(2,4-dichlorophenyl)pyrazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for [1-(2,4-dichlorophenyl)pyrazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for [1-(2,4-dichlorophenyl)pyrazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone is O=C(c1cnn(-c2ccc(Cl)cc2Cl)c1)N1CCc2[nH]ncc2C1.
What is the InChIKey of [1-(2,4-dichlorophenyl)pyrazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is YLYRUCBFEFWTBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5O/c17-12-1-2-15(13(18)5-12)23-9-11(7-20-23)16(24)22-4-3-14-10(8-22)6-19-21-14/h1-2,5-7,9H,3-4,8H2,(H,19,21).
What are the key properties of [1-(2,4-dichlorophenyl)pyrazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone?
[1-(2,4-dichlorophenyl)pyrazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 362.22 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,4-dichlorophenyl)pyrazol-4-yl]-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 86859603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).