1,5-dimethyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine

C13H21N5 — CID 122167521

IUPAC1,5-dimethyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine
SMILESCc1nn(C(C)C)cc1CNc1cc(C)n(C)n1
InChIInChI=1S/C13H21N5/c1-9(2)18-8-12(11(4)15-18)7-14-13-6-10(3)17(5)16-13/h6,8-9H,7H2,1-5H3,(H,14,16)
InChIKeyRMTUUTAFYVVALP-UHFFFAOYSA-N
MW247.35 g/mol
LogP2.43
Rot. Bonds4

About 1,5-dimethyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine

1,5-dimethyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine (PubChem CID 122167521) has the molecular formula C13H21N5 and a molecular weight of 247.35 g/mol. Its IUPAC name is 1,5-dimethyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name1,5-dimethyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine
PubChem CID122167521
Molecular FormulaC13H21N5
Molecular Weight247.35 g/mol
Exact Mass247.18
IUPAC Name1,5-dimethyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine
SMILESCc1nn(C(C)C)cc1CNc1cc(C)n(C)n1
InChIInChI=1S/C13H21N5/c1-9(2)18-8-12(11(4)15-18)7-14-13-6-10(3)17(5)16-13/h6,8-9H,7H2,1-5H3,(H,14,16)
InChIKeyRMTUUTAFYVVALP-UHFFFAOYSA-N
XLogP2.43
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 122167539
1-(difluoromethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine;hydrochloride
CID 126967496
N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-1,5-dimethylpyrazol-3-amine
CID 122167953
4-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]benzene-1,3-diol
CID 19627587
3-methyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122167543
N-[(2,5-dimethylfuran-3-yl)methyl]-1,5-dimethylpyrazol-3-amine
CID 115876966
N-[(2-bromophenyl)methyl]-1,5-dimethylpyrazol-3-amine
CID 115751708
N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
CID 122167495
2-[[(1,5-dimethylpyrazol-3-yl)amino]methyl]-4-methylphenol
CID 113290187
1,5-dimethyl-N-[(2-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine;hydrochloride
CID 126967946
1,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 19626325
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-methyl-1-propan-2-ylpyrazol-4-amine
CID 122167187

Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine?
The IUPAC name of 1,5-dimethyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine (CID 122167521) is 1,5-dimethyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine.
What is the SMILES notation for 1,5-dimethyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine?
The canonical SMILES for 1,5-dimethyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine is Cc1nn(C(C)C)cc1CNc1cc(C)n(C)n1.
What is the InChIKey of 1,5-dimethyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine?
The InChIKey is RMTUUTAFYVVALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5/c1-9(2)18-8-12(11(4)15-18)7-14-13-6-10(3)17(5)16-13/h6,8-9H,7H2,1-5H3,(H,14,16).
What are the key properties of 1,5-dimethyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine?
1,5-dimethyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine has a molecular weight of 247.35 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-3-amine is sourced from PubChem (CID 122167521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).