1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(1-methylpyrazol-4-yl)propan-1-one

C19H20ClN5O — CID 42456760

IUPAC1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESCn1cc(CCC(=O)N2CCc3[nH]nc(-c4ccc(Cl)cc4)c3C2)cn1
InChIInChI=1S/C19H20ClN5O/c1-24-11-13(10-21-24)2-7-18(26)25-9-8-17-16(12-25)19(23-22-17)14-3-5-15(20)6-4-14/h3-6,10-11H,2,7-9,12H2,1H3,(H,22,23)
InChIKeyPSOZMDBCWAUXBP-UHFFFAOYSA-N
MW369.86 g/mol
LogP2.98
Rot. Bonds4

About 1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(1-methylpyrazol-4-yl)propan-1-one

1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(1-methylpyrazol-4-yl)propan-1-one (PubChem CID 42456760) 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]-3-(1-methylpyrazol-4-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(1-methylpyrazol-4-yl)propan-1-one
PubChem CID42456760
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]-3-(1-methylpyrazol-4-yl)propan-1-one
SMILESCn1cc(CCC(=O)N2CCc3[nH]nc(-c4ccc(Cl)cc4)c3C2)cn1
InChIInChI=1S/C19H20ClN5O/c1-24-11-13(10-21-24)2-7-18(26)25-9-8-17-16(12-25)19(23-22-17)14-3-5-15(20)6-4-14/h3-6,10-11H,2,7-9,12H2,1H3,(H,22,23)
InChIKeyPSOZMDBCWAUXBP-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
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]-3-(1-methylpyrazol-4-yl)propan-1-one?
The IUPAC name of 1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(1-methylpyrazol-4-yl)propan-1-one (CID 42456760) is 1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(1-methylpyrazol-4-yl)propan-1-one.
What is the SMILES notation for 1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(1-methylpyrazol-4-yl)propan-1-one?
The canonical SMILES for 1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(1-methylpyrazol-4-yl)propan-1-one is Cn1cc(CCC(=O)N2CCc3[nH]nc(-c4ccc(Cl)cc4)c3C2)cn1.
What is the InChIKey of 1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(1-methylpyrazol-4-yl)propan-1-one?
The InChIKey is PSOZMDBCWAUXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c1-24-11-13(10-21-24)2-7-18(26)25-9-8-17-16(12-25)19(23-22-17)14-3-5-15(20)6-4-14/h3-6,10-11H,2,7-9,12H2,1H3,(H,22,23).
What are the key properties of 1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(1-methylpyrazol-4-yl)propan-1-one?
1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-3-(1-methylpyrazol-4-yl)propan-1-one has a molecular weight of 369.86 g/mol, XLogP of 2.98, 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]-3-(1-methylpyrazol-4-yl)propan-1-one is sourced from PubChem (CID 42456760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).