N-[(2-butan-2-ylpyrazol-3-yl)methyl]-1,5-dimethylpyrazol-3-amine

C13H21N5 — CID 122167277

IUPACN-[(2-butan-2-ylpyrazol-3-yl)methyl]-1,5-dimethylpyrazol-3-amine
SMILESCCC(C)n1nccc1CNc1cc(C)n(C)n1
InChIInChI=1S/C13H21N5/c1-5-10(2)18-12(6-7-15-18)9-14-13-8-11(3)17(4)16-13/h6-8,10H,5,9H2,1-4H3,(H,14,16)
InChIKeyLGRCVGUVFLBOKJ-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.51
Rot. Bonds5

About N-[(2-butan-2-ylpyrazol-3-yl)methyl]-1,5-dimethylpyrazol-3-amine

N-[(2-butan-2-ylpyrazol-3-yl)methyl]-1,5-dimethylpyrazol-3-amine (PubChem CID 122167277) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is N-[(2-butan-2-ylpyrazol-3-yl)methyl]-1,5-dimethylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(2-butan-2-ylpyrazol-3-yl)methyl]-1,5-dimethylpyrazol-3-amine
PubChem CID122167277
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC NameN-[(2-butan-2-ylpyrazol-3-yl)methyl]-1,5-dimethylpyrazol-3-amine
SMILESCCC(C)n1nccc1CNc1cc(C)n(C)n1
InChIInChI=1S/C13H21N5/c1-5-10(2)18-12(6-7-15-18)9-14-13-8-11(3)17(4)16-13/h6-8,10H,5,9H2,1-4H3,(H,14,16)
InChIKeyLGRCVGUVFLBOKJ-UHFFFAOYSA-N
XLogP2.51
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(2-butan-2-ylpyrazol-3-yl)methyl]-1,5-dimethylpyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,5-dimethyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride
CID 126967946
1-[(2S)-butan-2-yl]-N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]pyrazol-3-amine
CID 124932272
1-[(2S)-butan-2-yl]-N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]pyrazol-3-amine
CID 124932271
N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-2-propan-2-ylpyrazol-3-amine
CID 124932342
N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-propan-2-ylpyrazol-3-yl)methanamine
CID 124932333
N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(2-ethylpyrazol-3-yl)methanamine
CID 124932286
1-methyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 122167062
1-(2-butan-2-ylpyrazol-3-yl)-N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]methanamine
CID 122167258
N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-(4-methoxyphenyl)methanamine
CID 124932358
N-[[2-[(2S)-butan-2-yl]pyrazol-3-yl]methyl]-1-(1-ethylpyrazol-3-yl)methanamine
CID 124932351
N-[[2-[(2R)-butan-2-yl]pyrazol-3-yl]methyl]-1-[1-(2-fluoroethyl)pyrazol-3-yl]methanamine
CID 124932393
N-[(1,4-dimethylpyrazol-5-yl)methyl]-1,5-dimethylpyrazol-3-amine
CID 122166863

Frequently Asked Questions

What is the IUPAC name of N-[(2-butan-2-ylpyrazol-3-yl)methyl]-1,5-dimethylpyrazol-3-amine?
The IUPAC name of N-[(2-butan-2-ylpyrazol-3-yl)methyl]-1,5-dimethylpyrazol-3-amine (CID 122167277) is N-[(2-butan-2-ylpyrazol-3-yl)methyl]-1,5-dimethylpyrazol-3-amine.
What is the SMILES notation for N-[(2-butan-2-ylpyrazol-3-yl)methyl]-1,5-dimethylpyrazol-3-amine?
The canonical SMILES for N-[(2-butan-2-ylpyrazol-3-yl)methyl]-1,5-dimethylpyrazol-3-amine is CCC(C)n1nccc1CNc1cc(C)n(C)n1.
What is the InChIKey of N-[(2-butan-2-ylpyrazol-3-yl)methyl]-1,5-dimethylpyrazol-3-amine?
The InChIKey is LGRCVGUVFLBOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-5-10(2)18-12(6-7-15-18)9-14-13-8-11(3)17(4)16-13/h6-8,10H,5,9H2,1-4H3,(H,14,16).
What are the key properties of N-[(2-butan-2-ylpyrazol-3-yl)methyl]-1,5-dimethylpyrazol-3-amine?
N-[(2-butan-2-ylpyrazol-3-yl)methyl]-1,5-dimethylpyrazol-3-amine has a molecular weight of 247.35 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-butan-2-ylpyrazol-3-yl)methyl]-1,5-dimethylpyrazol-3-amine is sourced from PubChem (CID 122167277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).