1-[5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyridinyl]-4-propan-2-ylpiperazine

C18H25N5 — CID 141323464

IUPAC1-[5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyridinyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(c2ccc(-c3cc(C4CC4)[nH]n3)cn2)CC1
InChIInChI=1S/C18H25N5/c1-13(2)22-7-9-23(10-8-22)18-6-5-15(12-19-18)17-11-16(20-21-17)14-3-4-14/h5-6,11-14H,3-4,7-10H2,1-2H3,(H,20,21)
InChIKeyHOCOFWFHWSJUPP-UHFFFAOYSA-N
MW311.43 g/mol
LogP2.88
Rot. Bonds4

About 1-[5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyridinyl]-4-propan-2-ylpiperazine

1-[5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyridinyl]-4-propan-2-ylpiperazine (PubChem CID 141323464) has the molecular formula C18H25N5 and a molecular weight of 311.43 g/mol. Its IUPAC name is 1-[5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyridinyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyridinyl]-4-propan-2-ylpiperazine
PubChem CID141323464
Molecular FormulaC18H25N5
Molecular Weight311.43 g/mol
Exact Mass311.21
IUPAC Name1-[5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyridinyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(c2ccc(-c3cc(C4CC4)[nH]n3)cn2)CC1
InChIInChI=1S/C18H25N5/c1-13(2)22-7-9-23(10-8-22)18-6-5-15(12-19-18)17-11-16(20-21-17)14-3-4-14/h5-6,11-14H,3-4,7-10H2,1-2H3,(H,20,21)
InChIKeyHOCOFWFHWSJUPP-UHFFFAOYSA-N
XLogP2.88
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.43
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyridinyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyridinyl]-4-propan-2-ylpiperazine (CID 141323464) is 1-[5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyridinyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyridinyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyridinyl]-4-propan-2-ylpiperazine is CC(C)N1CCN(c2ccc(-c3cc(C4CC4)[nH]n3)cn2)CC1.
What is the InChIKey of 1-[5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyridinyl]-4-propan-2-ylpiperazine?
The InChIKey is HOCOFWFHWSJUPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5/c1-13(2)22-7-9-23(10-8-22)18-6-5-15(12-19-18)17-11-16(20-21-17)14-3-4-14/h5-6,11-14H,3-4,7-10H2,1-2H3,(H,20,21).
What are the key properties of 1-[5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyridinyl]-4-propan-2-ylpiperazine?
1-[5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyridinyl]-4-propan-2-ylpiperazine has a molecular weight of 311.43 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-cyclopropyl-1H-pyrazol-3-yl)-2-pyridinyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 141323464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).