1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one

C19H20ClN5O — CID 45180032

IUPAC1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
SMILESCC(Cn1cccn1)C(=O)N1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1
InChIInChI=1S/C19H20ClN5O/c1-13(11-25-9-2-8-21-25)19(26)24-10-7-17-16(12-24)18(23-22-17)14-3-5-15(20)6-4-14/h2-6,8-9,13H,7,10-12H2,1H3,(H,22,23)
InChIKeyTTWQIMQCJZKDDM-UHFFFAOYSA-N
MW369.86 g/mol
LogP3.15
Rot. Bonds4

About 1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one

1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one (PubChem CID 45180032) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is 1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
PubChem CID45180032
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one
SMILESCC(Cn1cccn1)C(=O)N1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1
InChIInChI=1S/C19H20ClN5O/c1-13(11-25-9-2-8-21-25)19(26)24-10-7-17-16(12-24)18(23-22-17)14-3-5-15(20)6-4-14/h2-6,8-9,13H,7,10-12H2,1H3,(H,22,23)
InChIKeyTTWQIMQCJZKDDM-UHFFFAOYSA-N
XLogP3.15
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one?
The IUPAC name of 1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one (CID 45180032) is 1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one?
The canonical SMILES for 1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one is CC(Cn1cccn1)C(=O)N1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one?
The InChIKey is TTWQIMQCJZKDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c1-13(11-25-9-2-8-21-25)19(26)24-10-7-17-16(12-24)18(23-22-17)14-3-5-15(20)6-4-14/h2-6,8-9,13H,7,10-12H2,1H3,(H,22,23).
What are the key properties of 1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one?
1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one has a molecular weight of 369.86 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-methyl-3-pyrazol-1-ylpropan-1-one is sourced from PubChem (CID 45180032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).