[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone

C18H25N5O — CID 70746820

IUPAC[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
SMILESCc1cccnc1CN1CCN(C(=O)c2cnn(C(C)C)c2)CC1
InChIInChI=1S/C18H25N5O/c1-14(2)23-12-16(11-20-23)18(24)22-9-7-21(8-10-22)13-17-15(3)5-4-6-19-17/h4-6,11-12,14H,7-10,13H2,1-3H3
InChIKeyCGIBWUCCNUGKET-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.13
Rot. Bonds4

About [4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone

[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone (PubChem CID 70746820) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is [4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
PubChem CID70746820
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
SMILESCc1cccnc1CN1CCN(C(=O)c2cnn(C(C)C)c2)CC1
InChIInChI=1S/C18H25N5O/c1-14(2)23-12-16(11-20-23)18(24)22-9-7-21(8-10-22)13-17-15(3)5-4-6-19-17/h4-6,11-12,14H,7-10,13H2,1-3H3
InChIKeyCGIBWUCCNUGKET-UHFFFAOYSA-N
XLogP2.13
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The IUPAC name of [4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone (CID 70746820) is [4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for [4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for [4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone is Cc1cccnc1CN1CCN(C(=O)c2cnn(C(C)C)c2)CC1.
What is the InChIKey of [4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The InChIKey is CGIBWUCCNUGKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-14(2)23-12-16(11-20-23)18(24)22-9-7-21(8-10-22)13-17-15(3)5-4-6-19-17/h4-6,11-12,14H,7-10,13H2,1-3H3.
What are the key properties of [4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone has a molecular weight of 327.43 g/mol, XLogP of 2.13, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 70746820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).