1-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-4-pyridin-3-ylpiperazine

C17H25N5 — CID 29257990

IUPAC1-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-4-pyridin-3-ylpiperazine
SMILESCC(C)c1cc(CN2CCN(c3cccnc3)CC2)n(C)n1
InChIInChI=1S/C17H25N5/c1-14(2)17-11-16(20(3)19-17)13-21-7-9-22(10-8-21)15-5-4-6-18-12-15/h4-6,11-12,14H,7-10,13H2,1-3H3
InChIKeyMBXGYAFIZAIZKM-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.26
Rot. Bonds4

About 1-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-4-pyridin-3-ylpiperazine

1-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-4-pyridin-3-ylpiperazine (PubChem CID 29257990) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-4-pyridin-3-ylpiperazine.

Molecular Properties

Compound Name1-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-4-pyridin-3-ylpiperazine
PubChem CID29257990
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name1-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-4-pyridin-3-ylpiperazine
SMILESCC(C)c1cc(CN2CCN(c3cccnc3)CC2)n(C)n1
InChIInChI=1S/C17H25N5/c1-14(2)17-11-16(20(3)19-17)13-21-7-9-22(10-8-21)15-5-4-6-18-12-15/h4-6,11-12,14H,7-10,13H2,1-3H3
InChIKeyMBXGYAFIZAIZKM-UHFFFAOYSA-N
XLogP2.26
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-4-pyridin-3-ylpiperazine?
The IUPAC name of 1-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-4-pyridin-3-ylpiperazine (CID 29257990) is 1-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-4-pyridin-3-ylpiperazine.
What is the SMILES notation for 1-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-4-pyridin-3-ylpiperazine?
The canonical SMILES for 1-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-4-pyridin-3-ylpiperazine is CC(C)c1cc(CN2CCN(c3cccnc3)CC2)n(C)n1.
What is the InChIKey of 1-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-4-pyridin-3-ylpiperazine?
The InChIKey is MBXGYAFIZAIZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-14(2)17-11-16(20(3)19-17)13-21-7-9-22(10-8-21)15-5-4-6-18-12-15/h4-6,11-12,14H,7-10,13H2,1-3H3.
What are the key properties of 1-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-4-pyridin-3-ylpiperazine?
1-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-4-pyridin-3-ylpiperazine has a molecular weight of 299.42 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-4-pyridin-3-ylpiperazine is sourced from PubChem (CID 29257990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).