[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine

C16H19N5 — CID 106040980

IUPAC[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine
SMILESCc1c(Cn2cncc2C(N)c2ccccc2)cnn1C
InChIInChI=1S/C16H19N5/c1-12-14(8-19-20(12)2)10-21-11-18-9-15(21)16(17)13-6-4-3-5-7-13/h3-9,11,16H,10,17H2,1-2H3
InChIKeyCXTFIDWOPNLORI-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.02
Rot. Bonds4

About [3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine

[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine (PubChem CID 106040980) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is [3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine.

Molecular Properties

Compound Name[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine
PubChem CID106040980
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine
SMILESCc1c(Cn2cncc2C(N)c2ccccc2)cnn1C
InChIInChI=1S/C16H19N5/c1-12-14(8-19-20(12)2)10-21-11-18-9-15(21)16(17)13-6-4-3-5-7-13/h3-9,11,16H,10,17H2,1-2H3
InChIKeyCXTFIDWOPNLORI-UHFFFAOYSA-N
XLogP2.02
TPSA61.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine?
The IUPAC name of [3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine (CID 106040980) is [3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine.
What is the SMILES notation for [3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine?
The canonical SMILES for [3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine is Cc1c(Cn2cncc2C(N)c2ccccc2)cnn1C.
What is the InChIKey of [3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine?
The InChIKey is CXTFIDWOPNLORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-12-14(8-19-20(12)2)10-21-11-18-9-15(21)16(17)13-6-4-3-5-7-13/h3-9,11,16H,10,17H2,1-2H3.
What are the key properties of [3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine?
[3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine has a molecular weight of 281.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(1,5-dimethylpyrazol-4-yl)methyl]imidazol-4-yl]-phenylmethanamine is sourced from PubChem (CID 106040980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).