1-(1,4-dimethylpiperazin-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine

C13H25N5 — CID 63897394

IUPAC1-(1,4-dimethylpiperazin-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCc1n[nH]c(C)c1CNCC1CN(C)CCN1C
InChIInChI=1S/C13H25N5/c1-10-13(11(2)16-15-10)8-14-7-12-9-17(3)5-6-18(12)4/h12,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyGTQSCHOUOGOUKW-UHFFFAOYSA-N
MW251.38 g/mol
LogP0.36
Rot. Bonds4

About 1-(1,4-dimethylpiperazin-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine

1-(1,4-dimethylpiperazin-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine (PubChem CID 63897394) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 1-(1,4-dimethylpiperazin-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(1,4-dimethylpiperazin-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine
PubChem CID63897394
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name1-(1,4-dimethylpiperazin-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCc1n[nH]c(C)c1CNCC1CN(C)CCN1C
InChIInChI=1S/C13H25N5/c1-10-13(11(2)16-15-10)8-14-7-12-9-17(3)5-6-18(12)4/h12,14H,5-9H2,1-4H3,(H,15,16)
InChIKeyGTQSCHOUOGOUKW-UHFFFAOYSA-N
XLogP0.36
TPSA47.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,4-dimethylpiperazin-2-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]methanamine
CID 63897981
1-(1,4-dimethylpiperazin-2-yl)-N-[(2,4,6-trimethylphenyl)methyl]methanamine
CID 63897056
1-(1,4-dimethylpiperazin-2-yl)-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]methanamine
CID 64541877
N-[(2,6-difluorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897583
1-(1,4-dimethylpiperazin-2-yl)-N-(1,3-thiazol-5-ylmethyl)methanamine
CID 63899142
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 12978503
N-[(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897213
N-[(4-bromophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897217
N-[(2,5-dimethylphenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63899121
N-[(3,4-dichlorophenyl)methyl]-1-(1,4-dimethylpiperazin-2-yl)methanamine
CID 63897594
3-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 95579532
2-[[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 64927671

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(1,4-dimethylpiperazin-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine (CID 63897394) is 1-(1,4-dimethylpiperazin-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(1,4-dimethylpiperazin-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(1,4-dimethylpiperazin-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine is Cc1n[nH]c(C)c1CNCC1CN(C)CCN1C.
What is the InChIKey of 1-(1,4-dimethylpiperazin-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine?
The InChIKey is GTQSCHOUOGOUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-10-13(11(2)16-15-10)8-14-7-12-9-17(3)5-6-18(12)4/h12,14H,5-9H2,1-4H3,(H,15,16).
What are the key properties of 1-(1,4-dimethylpiperazin-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine?
1-(1,4-dimethylpiperazin-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine has a molecular weight of 251.38 g/mol, XLogP of 0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpiperazin-2-yl)-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 63897394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).