N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)butan-2-amine

C18H28N4 — CID 46984356

IUPACN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)butan-2-amine
SMILESCCC(C)N(Cc1ccncc1)Cc1cc(C(C)(C)C)n[nH]1
InChIInChI=1S/C18H28N4/c1-6-14(2)22(12-15-7-9-19-10-8-15)13-16-11-17(21-20-16)18(3,4)5/h7-11,14H,6,12-13H2,1-5H3,(H,20,21)
InChIKeyCHYYZFRUQCXIFA-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.90
Rot. Bonds6

About N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)butan-2-amine

N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)butan-2-amine (PubChem CID 46984356) has the molecular formula C18H28N4 and a molecular weight of 300.45 g/mol. Its IUPAC name is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)butan-2-amine.

Molecular Properties

Compound NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)butan-2-amine
PubChem CID46984356
Molecular FormulaC18H28N4
Molecular Weight300.45 g/mol
Exact Mass300.23
IUPAC NameN-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)butan-2-amine
SMILESCCC(C)N(Cc1ccncc1)Cc1cc(C(C)(C)C)n[nH]1
InChIInChI=1S/C18H28N4/c1-6-14(2)22(12-15-7-9-19-10-8-15)13-16-11-17(21-20-16)18(3,4)5/h7-11,14H,6,12-13H2,1-5H3,(H,20,21)
InChIKeyCHYYZFRUQCXIFA-UHFFFAOYSA-N
XLogP3.90
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)butan-2-amine?
The IUPAC name of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)butan-2-amine (CID 46984356) is N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)butan-2-amine.
What is the SMILES notation for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)butan-2-amine?
The canonical SMILES for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)butan-2-amine is CCC(C)N(Cc1ccncc1)Cc1cc(C(C)(C)C)n[nH]1.
What is the InChIKey of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)butan-2-amine?
The InChIKey is CHYYZFRUQCXIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4/c1-6-14(2)22(12-15-7-9-19-10-8-15)13-16-11-17(21-20-16)18(3,4)5/h7-11,14H,6,12-13H2,1-5H3,(H,20,21).
What are the key properties of N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)butan-2-amine?
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)butan-2-amine has a molecular weight of 300.45 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-N-(pyridin-4-ylmethyl)butan-2-amine is sourced from PubChem (CID 46984356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).