1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(6-methoxy-3-pyridinyl)piperazine

C17H24ClN5O — CID 146038340

IUPAC1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(6-methoxy-3-pyridinyl)piperazine
SMILESCCc1nn(C)c(Cl)c1CN1CCN(c2ccc(OC)nc2)CC1
InChIInChI=1S/C17H24ClN5O/c1-4-15-14(17(18)21(2)20-15)12-22-7-9-23(10-8-22)13-5-6-16(24-3)19-11-13/h5-6,11H,4,7-10,12H2,1-3H3
InChIKeyOUQJMZOXISTUDO-UHFFFAOYSA-N
MW349.87 g/mol
LogP2.36
Rot. Bonds5

About 1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(6-methoxy-3-pyridinyl)piperazine

1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(6-methoxy-3-pyridinyl)piperazine (PubChem CID 146038340) has the molecular formula C17H24ClN5O and a molecular weight of 349.87 g/mol. Its IUPAC name is 1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(6-methoxy-3-pyridinyl)piperazine.

Molecular Properties

Compound Name1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(6-methoxy-3-pyridinyl)piperazine
PubChem CID146038340
Molecular FormulaC17H24ClN5O
Molecular Weight349.87 g/mol
Exact Mass349.17
IUPAC Name1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(6-methoxy-3-pyridinyl)piperazine
SMILESCCc1nn(C)c(Cl)c1CN1CCN(c2ccc(OC)nc2)CC1
InChIInChI=1S/C17H24ClN5O/c1-4-15-14(17(18)21(2)20-15)12-22-7-9-23(10-8-22)13-5-6-16(24-3)19-11-13/h5-6,11H,4,7-10,12H2,1-3H3
InChIKeyOUQJMZOXISTUDO-UHFFFAOYSA-N
XLogP2.36
TPSA46.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(6-methoxy-3-pyridinyl)piperazine?
The IUPAC name of 1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(6-methoxy-3-pyridinyl)piperazine (CID 146038340) is 1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(6-methoxy-3-pyridinyl)piperazine.
What is the SMILES notation for 1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(6-methoxy-3-pyridinyl)piperazine?
The canonical SMILES for 1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(6-methoxy-3-pyridinyl)piperazine is CCc1nn(C)c(Cl)c1CN1CCN(c2ccc(OC)nc2)CC1.
What is the InChIKey of 1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(6-methoxy-3-pyridinyl)piperazine?
The InChIKey is OUQJMZOXISTUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN5O/c1-4-15-14(17(18)21(2)20-15)12-22-7-9-23(10-8-22)13-5-6-16(24-3)19-11-13/h5-6,11H,4,7-10,12H2,1-3H3.
What are the key properties of 1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(6-methoxy-3-pyridinyl)piperazine?
1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(6-methoxy-3-pyridinyl)piperazine has a molecular weight of 349.87 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-4-(6-methoxy-3-pyridinyl)piperazine is sourced from PubChem (CID 146038340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).