1-(3-tert-butyl-1H-pyrazol-5-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine

C13H21N5 — CID 50976606

IUPAC1-(3-tert-butyl-1H-pyrazol-5-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine
SMILESCN(Cc1cc(C(C)(C)C)n[nH]1)Cc1ncc[nH]1
InChIInChI=1S/C13H21N5/c1-13(2,3)11-7-10(16-17-11)8-18(4)9-12-14-5-6-15-12/h5-7H,8-9H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyIUMGVGNSYAGYFS-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.06
Rot. Bonds4

About 1-(3-tert-butyl-1H-pyrazol-5-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine

1-(3-tert-butyl-1H-pyrazol-5-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine (PubChem CID 50976606) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 1-(3-tert-butyl-1H-pyrazol-5-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-tert-butyl-1H-pyrazol-5-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine
PubChem CID50976606
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name1-(3-tert-butyl-1H-pyrazol-5-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine
SMILESCN(Cc1cc(C(C)(C)C)n[nH]1)Cc1ncc[nH]1
InChIInChI=1S/C13H21N5/c1-13(2,3)11-7-10(16-17-11)8-18(4)9-12-14-5-6-15-12/h5-7H,8-9H2,1-4H3,(H,14,15)(H,16,17)
InChIKeyIUMGVGNSYAGYFS-UHFFFAOYSA-N
XLogP2.06
TPSA60.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-tert-butyl-1H-pyrazol-5-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine?
The IUPAC name of 1-(3-tert-butyl-1H-pyrazol-5-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine (CID 50976606) is 1-(3-tert-butyl-1H-pyrazol-5-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-tert-butyl-1H-pyrazol-5-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine?
The canonical SMILES for 1-(3-tert-butyl-1H-pyrazol-5-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine is CN(Cc1cc(C(C)(C)C)n[nH]1)Cc1ncc[nH]1.
What is the InChIKey of 1-(3-tert-butyl-1H-pyrazol-5-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine?
The InChIKey is IUMGVGNSYAGYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-13(2,3)11-7-10(16-17-11)8-18(4)9-12-14-5-6-15-12/h5-7H,8-9H2,1-4H3,(H,14,15)(H,16,17).
What are the key properties of 1-(3-tert-butyl-1H-pyrazol-5-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine?
1-(3-tert-butyl-1H-pyrazol-5-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine has a molecular weight of 247.35 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-tert-butyl-1H-pyrazol-5-yl)-N-(1H-imidazol-2-ylmethyl)-N-methylmethanamine is sourced from PubChem (CID 50976606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).