N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine

C15H22N4O — CID 60957794

IUPACN-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
SMILESCOc1cc(CNCc2cnn(C(C)(C)C)c2)ccn1
InChIInChI=1S/C15H22N4O/c1-15(2,3)19-11-13(10-18-19)9-16-8-12-5-6-17-14(7-12)20-4/h5-7,10-11,16H,8-9H2,1-4H3
InChIKeyQCKRKMIUANQYDO-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.33
Rot. Bonds5

About N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine

N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine (PubChem CID 60957794) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
PubChem CID60957794
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
SMILESCOc1cc(CNCc2cnn(C(C)(C)C)c2)ccn1
InChIInChI=1S/C15H22N4O/c1-15(2,3)19-11-13(10-18-19)9-16-8-12-5-6-17-14(7-12)20-4/h5-7,10-11,16H,8-9H2,1-4H3
InChIKeyQCKRKMIUANQYDO-UHFFFAOYSA-N
XLogP2.33
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine?
The IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine (CID 60957794) is N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine.
What is the SMILES notation for N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine?
The canonical SMILES for N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine is COc1cc(CNCc2cnn(C(C)(C)C)c2)ccn1.
What is the InChIKey of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine?
The InChIKey is QCKRKMIUANQYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-15(2,3)19-11-13(10-18-19)9-16-8-12-5-6-17-14(7-12)20-4/h5-7,10-11,16H,8-9H2,1-4H3.
What are the key properties of N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine?
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine has a molecular weight of 274.37 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine is sourced from PubChem (CID 60957794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).