N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpentan-3-amine

C13H25N3 — CID 115767853

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpentan-3-amine
SMILESCCC(NCc1cn(C)nc1C)C(C)(C)C
InChIInChI=1S/C13H25N3/c1-7-12(13(3,4)5)14-8-11-9-16(6)15-10(11)2/h9,12,14H,7-8H2,1-6H3
InChIKeyUWCKIAPQAOZFSM-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.64
Rot. Bonds4

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpentan-3-amine

N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpentan-3-amine (PubChem CID 115767853) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpentan-3-amine.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpentan-3-amine
PubChem CID115767853
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpentan-3-amine
SMILESCCC(NCc1cn(C)nc1C)C(C)(C)C
InChIInChI=1S/C13H25N3/c1-7-12(13(3,4)5)14-8-11-9-16(6)15-10(11)2/h9,12,14H,7-8H2,1-6H3
InChIKeyUWCKIAPQAOZFSM-UHFFFAOYSA-N
XLogP2.64
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide
CID 112668993
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpropanamide
CID 83089472
N-[(1,3-dimethylpyrazol-4-yl)methyl]-3-methyl-1-propylpyrazol-4-amine
CID 122166677
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 109481950
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-(3-fluorophenyl)propan-1-amine
CID 114871791
4-[1-[(1,3-dimethylpyrazol-4-yl)methylamino]ethyl]phenol
CID 112668646
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-1-ol
CID 109482003
2-bromo-N-[(1,3-dimethylpyrazol-4-yl)methyl]butanamide
CID 112668685
N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-propylpyrazol-3-amine
CID 19626341
(1S)-1-(4-bromophenyl)-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 83088989
(1R)-1-cycloheptyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 83088566

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpentan-3-amine?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpentan-3-amine (CID 115767853) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpentan-3-amine.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpentan-3-amine?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpentan-3-amine is CCC(NCc1cn(C)nc1C)C(C)(C)C.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpentan-3-amine?
The InChIKey is UWCKIAPQAOZFSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-7-12(13(3,4)5)14-8-11-9-16(6)15-10(11)2/h9,12,14H,7-8H2,1-6H3.
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpentan-3-amine?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpentan-3-amine has a molecular weight of 223.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2,2-dimethylpentan-3-amine is sourced from PubChem (CID 115767853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).