N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine

C18H29N5 — CID 46982750

IUPACN-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
SMILESC=CCn1cc(CN(Cc2c(C)nn(C)c2C)C(C)C)c(C)n1
InChIInChI=1S/C18H29N5/c1-8-9-23-11-17(14(4)20-23)10-22(13(2)3)12-18-15(5)19-21(7)16(18)6/h8,11,13H,1,9-10,12H2,2-7H3
InChIKeyZFUYHVMSUDCNQF-UHFFFAOYSA-N
MW315.47 g/mol
LogP3.14
Rot. Bonds7

About N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine

N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine (PubChem CID 46982750) has the molecular formula C18H29N5 and a molecular weight of 315.47 g/mol. Its IUPAC name is N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
PubChem CID46982750
Molecular FormulaC18H29N5
Molecular Weight315.47 g/mol
Exact Mass315.24
IUPAC NameN-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine
SMILESC=CCn1cc(CN(Cc2c(C)nn(C)c2C)C(C)C)c(C)n1
InChIInChI=1S/C18H29N5/c1-8-9-23-11-17(14(4)20-23)10-22(13(2)3)12-18-15(5)19-21(7)16(18)6/h8,11,13H,1,9-10,12H2,2-7H3
InChIKeyZFUYHVMSUDCNQF-UHFFFAOYSA-N
XLogP3.14
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.47
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine (CID 46982750) is N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine is C=CCn1cc(CN(Cc2c(C)nn(C)c2C)C(C)C)c(C)n1.
What is the InChIKey of N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is ZFUYHVMSUDCNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5/c1-8-9-23-11-17(14(4)20-23)10-22(13(2)3)12-18-15(5)19-21(7)16(18)6/h8,11,13H,1,9-10,12H2,2-7H3.
What are the key properties of N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine?
N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 315.47 g/mol, XLogP of 3.14, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-1-prop-2-enylpyrazol-4-yl)methyl]-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 46982750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).