1-[(3-pyrazol-1-ylphenyl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine

C16H19N7 — CID 118765657

IUPAC1-[(3-pyrazol-1-ylphenyl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine
SMILESc1cc(CN2CCN(c3ncn[nH]3)CC2)cc(-n2cccn2)c1
InChIInChI=1S/C16H19N7/c1-3-14(11-15(4-1)23-6-2-5-19-23)12-21-7-9-22(10-8-21)16-17-13-18-20-16/h1-6,11,13H,7-10,12H2,(H,17,18,20)
InChIKeyNXYAYTHHCQNSKK-UHFFFAOYSA-N
MW309.38 g/mol
LogP1.31
Rot. Bonds4

About 1-[(3-pyrazol-1-ylphenyl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine

1-[(3-pyrazol-1-ylphenyl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine (PubChem CID 118765657) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is 1-[(3-pyrazol-1-ylphenyl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine.

Molecular Properties

Compound Name1-[(3-pyrazol-1-ylphenyl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine
PubChem CID118765657
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name1-[(3-pyrazol-1-ylphenyl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine
SMILESc1cc(CN2CCN(c3ncn[nH]3)CC2)cc(-n2cccn2)c1
InChIInChI=1S/C16H19N7/c1-3-14(11-15(4-1)23-6-2-5-19-23)12-21-7-9-22(10-8-21)16-17-13-18-20-16/h1-6,11,13H,7-10,12H2,(H,17,18,20)
InChIKeyNXYAYTHHCQNSKK-UHFFFAOYSA-N
XLogP1.31
TPSA65.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3-fluorophenyl)methyl]-4-[(3-pyrazol-1-ylphenyl)methyl]piperazine
CID 56897722
1-[(1-benzylimidazol-2-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine
CID 91830071
1-cyclopentyl-4-[(3-pyrazol-1-ylphenyl)methyl]-1,4-diazepane
CID 70735219
4-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]pyridine
CID 56913035
1-methyl-4-[[1-[(3-pyrazol-1-ylphenyl)methyl]triazol-4-yl]methyl]piperazine
CID 138056348
2-phenyl-4-[4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 26399314
4-(4-benzylpiperazin-1-yl)-6-pyrazol-1-ylpyrimidine
CID 10805650
4-[4-[(3-methoxyphenyl)methyl]piperazin-1-yl]-6-pyrazol-1-ylpyrimidine
CID 154581224
methyl (2S)-2-hydroxy-2-[1-[(3-pyrazol-1-ylphenyl)methyl]piperidin-4-yl]acetate
CID 97151791
(3-pyrazol-1-ylphenyl)methylazanium
CID 3258757
2-[(2R)-1-(2-phenylethyl)-4-[(3-pyrazol-1-ylphenyl)methyl]piperazin-2-yl]ethanol
CID 30852850
3-methyl-8-[(3-pyrazol-1-ylphenyl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 70729618

Frequently Asked Questions

What is the IUPAC name of 1-[(3-pyrazol-1-ylphenyl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine?
The IUPAC name of 1-[(3-pyrazol-1-ylphenyl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine (CID 118765657) is 1-[(3-pyrazol-1-ylphenyl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine.
What is the SMILES notation for 1-[(3-pyrazol-1-ylphenyl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine?
The canonical SMILES for 1-[(3-pyrazol-1-ylphenyl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine is c1cc(CN2CCN(c3ncn[nH]3)CC2)cc(-n2cccn2)c1.
What is the InChIKey of 1-[(3-pyrazol-1-ylphenyl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine?
The InChIKey is NXYAYTHHCQNSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7/c1-3-14(11-15(4-1)23-6-2-5-19-23)12-21-7-9-22(10-8-21)16-17-13-18-20-16/h1-6,11,13H,7-10,12H2,(H,17,18,20).
What are the key properties of 1-[(3-pyrazol-1-ylphenyl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine?
1-[(3-pyrazol-1-ylphenyl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine has a molecular weight of 309.38 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-pyrazol-1-ylphenyl)methyl]-4-(1H-1,2,4-triazol-5-yl)piperazine is sourced from PubChem (CID 118765657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).