N-methyl-2-(1-methylpyrazol-4-yl)-N-[(1-prop-2-enylpyrazol-4-yl)methyl]ethanamine

C14H21N5 — CID 77081766

IUPACN-methyl-2-(1-methylpyrazol-4-yl)-N-[(1-prop-2-enylpyrazol-4-yl)methyl]ethanamine
SMILESC=CCn1cc(CN(C)CCc2cnn(C)c2)cn1
InChIInChI=1S/C14H21N5/c1-4-6-19-12-14(9-16-19)10-17(2)7-5-13-8-15-18(3)11-13/h4,8-9,11-12H,1,5-7,10H2,2-3H3
InChIKeyPSSCNADZQYEAED-UHFFFAOYSA-N
MW259.36 g/mol
LogP1.48
Rot. Bonds7

About N-methyl-2-(1-methylpyrazol-4-yl)-N-[(1-prop-2-enylpyrazol-4-yl)methyl]ethanamine

N-methyl-2-(1-methylpyrazol-4-yl)-N-[(1-prop-2-enylpyrazol-4-yl)methyl]ethanamine (PubChem CID 77081766) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is N-methyl-2-(1-methylpyrazol-4-yl)-N-[(1-prop-2-enylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-(1-methylpyrazol-4-yl)-N-[(1-prop-2-enylpyrazol-4-yl)methyl]ethanamine
PubChem CID77081766
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC NameN-methyl-2-(1-methylpyrazol-4-yl)-N-[(1-prop-2-enylpyrazol-4-yl)methyl]ethanamine
SMILESC=CCn1cc(CN(C)CCc2cnn(C)c2)cn1
InChIInChI=1S/C14H21N5/c1-4-6-19-12-14(9-16-19)10-17(2)7-5-13-8-15-18(3)11-13/h4,8-9,11-12H,1,5-7,10H2,2-3H3
InChIKeyPSSCNADZQYEAED-UHFFFAOYSA-N
XLogP1.48
TPSA38.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 51.48
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-methyl-2-(1-methylpyrazol-4-yl)-N-[(1-prop-2-enylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-methyl-2-(1-methylpyrazol-4-yl)-N-[(1-prop-2-enylpyrazol-4-yl)methyl]ethanamine (CID 77081766) is N-methyl-2-(1-methylpyrazol-4-yl)-N-[(1-prop-2-enylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-methyl-2-(1-methylpyrazol-4-yl)-N-[(1-prop-2-enylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-methyl-2-(1-methylpyrazol-4-yl)-N-[(1-prop-2-enylpyrazol-4-yl)methyl]ethanamine is C=CCn1cc(CN(C)CCc2cnn(C)c2)cn1.
What is the InChIKey of N-methyl-2-(1-methylpyrazol-4-yl)-N-[(1-prop-2-enylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is PSSCNADZQYEAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-4-6-19-12-14(9-16-19)10-17(2)7-5-13-8-15-18(3)11-13/h4,8-9,11-12H,1,5-7,10H2,2-3H3.
What are the key properties of N-methyl-2-(1-methylpyrazol-4-yl)-N-[(1-prop-2-enylpyrazol-4-yl)methyl]ethanamine?
N-methyl-2-(1-methylpyrazol-4-yl)-N-[(1-prop-2-enylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 259.36 g/mol, XLogP of 1.48, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(1-methylpyrazol-4-yl)-N-[(1-prop-2-enylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 77081766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).