3-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine

C16H25N5 — CID 56814861

IUPAC3-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ncccc1CNCc1cnn(C(C)(C)C)c1
InChIInChI=1S/C16H25N5/c1-16(2,3)21-12-13(10-19-21)9-17-11-14-7-6-8-18-15(14)20(4)5/h6-8,10,12,17H,9,11H2,1-5H3
InChIKeyQWOSKTIVOBRMHO-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.39
Rot. Bonds5

About 3-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine

3-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine (PubChem CID 56814861) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name3-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine
PubChem CID56814861
Molecular FormulaC16H25N5
Molecular Weight287.41 g/mol
Exact Mass287.21
IUPAC Name3-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ncccc1CNCc1cnn(C(C)(C)C)c1
InChIInChI=1S/C16H25N5/c1-16(2,3)21-12-13(10-19-21)9-17-11-14-7-6-8-18-15(14)20(4)5/h6-8,10,12,17H,9,11H2,1-5H3
InChIKeyQWOSKTIVOBRMHO-UHFFFAOYSA-N
XLogP2.39
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-ethylphenyl)methanamine
CID 64681132
3-[[[1-(4-chlorophenyl)pyrazol-4-yl]methylamino]methyl]-N,N-dimethylpyridin-2-amine
CID 51086144
3-[(2,2-dimethylpropylamino)methyl]-N,N-dimethylpyridin-2-amine
CID 115607162
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(2-methoxy-4-pyridinyl)methanamine
CID 60957794
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-[3-(methoxymethyl)phenyl]methanamine
CID 60957310
N-[(1-tert-butylpyrazol-4-yl)methyl]-N'-methyl-N'-propan-2-ylethane-1,2-diamine
CID 62634219
3-[[(4-methoxy-3,5-dimethylphenyl)methylamino]methyl]-N,N-dimethylpyridin-2-amine;hydrochloride
CID 47615971
(1S)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 78978020
1-(5-bromothiophen-2-yl)-N-[(1-tert-butylpyrazol-4-yl)methyl]methanamine
CID 54893638
N-[(1-tert-butylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine
CID 43769158
1-(1-tert-butylpyrazol-4-yl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103702005
N-[(1-tert-butylpyrazol-4-yl)methyl]pyrrol-1-amine
CID 79090306

Frequently Asked Questions

What is the IUPAC name of 3-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 3-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine (CID 56814861) is 3-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 3-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 3-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine is CN(C)c1ncccc1CNCc1cnn(C(C)(C)C)c1.
What is the InChIKey of 3-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine?
The InChIKey is QWOSKTIVOBRMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-16(2,3)21-12-13(10-19-21)9-17-11-14-7-6-8-18-15(14)20(4)5/h6-8,10,12,17H,9,11H2,1-5H3.
What are the key properties of 3-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine?
3-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine has a molecular weight of 287.41 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1-tert-butylpyrazol-4-yl)methylamino]methyl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 56814861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).