1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine

C19H23N5O — CID 50953242

IUPAC1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine
SMILESCc1cccnc1CN1CCN(Cc2ccc(-c3ccn[nH]3)o2)CC1
InChIInChI=1S/C19H23N5O/c1-15-3-2-7-20-18(15)14-24-11-9-23(10-12-24)13-16-4-5-19(25-16)17-6-8-21-22-17/h2-8H,9-14H2,1H3,(H,21,22)
InChIKeyNRXUUZPYMPZEMC-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.69
Rot. Bonds5

About 1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine

1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine (PubChem CID 50953242) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine
PubChem CID50953242
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine
SMILESCc1cccnc1CN1CCN(Cc2ccc(-c3ccn[nH]3)o2)CC1
InChIInChI=1S/C19H23N5O/c1-15-3-2-7-20-18(15)14-24-11-9-23(10-12-24)13-16-4-5-19(25-16)17-6-8-21-22-17/h2-8H,9-14H2,1H3,(H,21,22)
InChIKeyNRXUUZPYMPZEMC-UHFFFAOYSA-N
XLogP2.69
TPSA61.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine with MolForge

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Related Compounds

ethyl 4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine-1-carboxylate
CID 91786548
1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(oxan-2-yl)furan-2-yl]methyl]piperazine
CID 56900525
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]ethanol
CID 112550205
1-[(3-methyl-2-pyridinyl)methyl]-1,5-diazocane
CID 63306542
2-[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]pyridin-3-amine
CID 115982052
[1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 50952555
5-[4-[(3-methyl-2-pyridinyl)methyl]-1,4-diazepan-1-yl]pentan-1-amine
CID 115981865
(3S,4R)-4-(hydroxymethyl)-1-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperidin-3-ol
CID 56891453
2-[[4-(chloromethyl)piperidin-1-yl]methyl]-3-methylpyridine
CID 112651337
1'-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]spiro[1,2-dihydroindene-3,4'-piperidine]-2-ol
CID 56912885
1-[(3-methyl-2-pyridinyl)methyl]-4-[[(3S)-oxolan-3-yl]methyl]piperazine
CID 95708715
(4S)-2-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]-3,4-dihydro-1H-isoquinolin-4-ol
CID 96574645

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine?
The IUPAC name of 1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine (CID 50953242) is 1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine.
What is the SMILES notation for 1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine?
The canonical SMILES for 1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine is Cc1cccnc1CN1CCN(Cc2ccc(-c3ccn[nH]3)o2)CC1.
What is the InChIKey of 1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine?
The InChIKey is NRXUUZPYMPZEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-15-3-2-7-20-18(15)14-24-11-9-23(10-12-24)13-16-4-5-19(25-16)17-6-8-21-22-17/h2-8H,9-14H2,1H3,(H,21,22).
What are the key properties of 1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine?
1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine has a molecular weight of 337.43 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-2-pyridinyl)methyl]-4-[[5-(1H-pyrazol-5-yl)furan-2-yl]methyl]piperazine is sourced from PubChem (CID 50953242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).