1-[(1-tert-butylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride

C17H26ClN5 — CID 120910252

IUPAC1-[(1-tert-butylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
SMILESCC(C)(C)n1cc(CN2CCNCC2c2ccncc2)cn1.Cl
InChIInChI=1S/C17H25N5.ClH/c1-17(2,3)22-13-14(10-20-22)12-21-9-8-19-11-16(21)15-4-6-18-7-5-15;/h4-7,10,13,16,19H,8-9,11-12H2,1-3H3;1H
InChIKeyNAODUQXFKCQVPU-UHFFFAOYSA-N
MW335.88 g/mol
LogP2.60
Rot. Bonds3

About 1-[(1-tert-butylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride

1-[(1-tert-butylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride (PubChem CID 120910252) has the molecular formula C17H26ClN5 and a molecular weight of 335.88 g/mol. Its IUPAC name is 1-[(1-tert-butylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1-tert-butylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
PubChem CID120910252
Molecular FormulaC17H26ClN5
Molecular Weight335.88 g/mol
Exact Mass335.19
IUPAC Name1-[(1-tert-butylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
SMILESCC(C)(C)n1cc(CN2CCNCC2c2ccncc2)cn1.Cl
InChIInChI=1S/C17H25N5.ClH/c1-17(2,3)22-13-14(10-20-22)12-21-9-8-19-11-16(21)15-4-6-18-7-5-15;/h4-7,10,13,16,19H,8-9,11-12H2,1-3H3;1H
InChIKeyNAODUQXFKCQVPU-UHFFFAOYSA-N
XLogP2.60
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1-propan-2-ylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910039
1-[(1-propylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910214
1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)piperazine;hydrochloride
CID 120767459
1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(2-methoxyphenyl)piperazine
CID 120767460
1-[(1-tert-butylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)piperazine
CID 120911966
1-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-2-pyridin-4-ylpiperazine
CID 120910502
1-[(3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine
CID 120910126
N,N-dimethyl-5-[(2-pyridin-4-ylpiperazin-1-yl)methyl]pyrimidin-2-amine;hydrochloride
CID 120910581
2-(4-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperazine
CID 110109334
1-[(4-methoxy-3,5-dimethylphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120909955
1-[(4-ethoxyphenyl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride
CID 120910643
4-[(2-pyridin-4-ylpiperazin-1-yl)methyl]benzamide
CID 120910369

Frequently Asked Questions

What is the IUPAC name of 1-[(1-tert-butylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride?
The IUPAC name of 1-[(1-tert-butylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride (CID 120910252) is 1-[(1-tert-butylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride.
What is the SMILES notation for 1-[(1-tert-butylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride?
The canonical SMILES for 1-[(1-tert-butylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride is CC(C)(C)n1cc(CN2CCNCC2c2ccncc2)cn1.Cl.
What is the InChIKey of 1-[(1-tert-butylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride?
The InChIKey is NAODUQXFKCQVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5.ClH/c1-17(2,3)22-13-14(10-20-22)12-21-9-8-19-11-16(21)15-4-6-18-7-5-15;/h4-7,10,13,16,19H,8-9,11-12H2,1-3H3;1H.
What are the key properties of 1-[(1-tert-butylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride?
1-[(1-tert-butylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride has a molecular weight of 335.88 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-tert-butylpyrazol-4-yl)methyl]-2-pyridin-4-ylpiperazine;hydrochloride is sourced from PubChem (CID 120910252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).