[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-(4-pyrazol-1-yl-2-pyridinyl)methanone

C18H25N5O2 — CID 71983816

IUPAC[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-(4-pyrazol-1-yl-2-pyridinyl)methanone
SMILESCC(C)OCCN1CCN(C(=O)c2cc(-n3cccn3)ccn2)CC1
InChIInChI=1S/C18H25N5O2/c1-15(2)25-13-12-21-8-10-22(11-9-21)18(24)17-14-16(4-6-19-17)23-7-3-5-20-23/h3-7,14-15H,8-13H2,1-2H3
InChIKeyITFGXIDBFGBWSB-UHFFFAOYSA-N
MW343.43 g/mol
LogP1.45
Rot. Bonds6

About [4-(2-propan-2-yloxyethyl)piperazin-1-yl]-(4-pyrazol-1-yl-2-pyridinyl)methanone

[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-(4-pyrazol-1-yl-2-pyridinyl)methanone (PubChem CID 71983816) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is [4-(2-propan-2-yloxyethyl)piperazin-1-yl]-(4-pyrazol-1-yl-2-pyridinyl)methanone.

Molecular Properties

Compound Name[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-(4-pyrazol-1-yl-2-pyridinyl)methanone
PubChem CID71983816
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-(4-pyrazol-1-yl-2-pyridinyl)methanone
SMILESCC(C)OCCN1CCN(C(=O)c2cc(-n3cccn3)ccn2)CC1
InChIInChI=1S/C18H25N5O2/c1-15(2)25-13-12-21-8-10-22(11-9-21)18(24)17-14-16(4-6-19-17)23-7-3-5-20-23/h3-7,14-15H,8-13H2,1-2H3
InChIKeyITFGXIDBFGBWSB-UHFFFAOYSA-N
XLogP1.45
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(2-propan-2-yloxyethyl)piperazin-1-yl]-(4-pyrazol-1-yl-2-pyridinyl)methanone?
The IUPAC name of [4-(2-propan-2-yloxyethyl)piperazin-1-yl]-(4-pyrazol-1-yl-2-pyridinyl)methanone (CID 71983816) is [4-(2-propan-2-yloxyethyl)piperazin-1-yl]-(4-pyrazol-1-yl-2-pyridinyl)methanone.
What is the SMILES notation for [4-(2-propan-2-yloxyethyl)piperazin-1-yl]-(4-pyrazol-1-yl-2-pyridinyl)methanone?
The canonical SMILES for [4-(2-propan-2-yloxyethyl)piperazin-1-yl]-(4-pyrazol-1-yl-2-pyridinyl)methanone is CC(C)OCCN1CCN(C(=O)c2cc(-n3cccn3)ccn2)CC1.
What is the InChIKey of [4-(2-propan-2-yloxyethyl)piperazin-1-yl]-(4-pyrazol-1-yl-2-pyridinyl)methanone?
The InChIKey is ITFGXIDBFGBWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-15(2)25-13-12-21-8-10-22(11-9-21)18(24)17-14-16(4-6-19-17)23-7-3-5-20-23/h3-7,14-15H,8-13H2,1-2H3.
What are the key properties of [4-(2-propan-2-yloxyethyl)piperazin-1-yl]-(4-pyrazol-1-yl-2-pyridinyl)methanone?
[4-(2-propan-2-yloxyethyl)piperazin-1-yl]-(4-pyrazol-1-yl-2-pyridinyl)methanone has a molecular weight of 343.43 g/mol, XLogP of 1.45, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-propan-2-yloxyethyl)piperazin-1-yl]-(4-pyrazol-1-yl-2-pyridinyl)methanone is sourced from PubChem (CID 71983816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).