3,5-dimethyl-1-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazol-4-amine

C13H19N5 — CID 62760482

IUPAC3,5-dimethyl-1-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazol-4-amine
SMILESCc1nn(C(C)C)c(C)c1NCc1cncnc1
InChIInChI=1S/C13H19N5/c1-9(2)18-11(4)13(10(3)17-18)16-7-12-5-14-8-15-6-12/h5-6,8-9,16H,7H2,1-4H3
InChIKeyMMLYIXFHAWPMMR-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.48
Rot. Bonds4

About 3,5-dimethyl-1-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazol-4-amine

3,5-dimethyl-1-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazol-4-amine (PubChem CID 62760482) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3,5-dimethyl-1-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazol-4-amine.

Molecular Properties

Compound Name3,5-dimethyl-1-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazol-4-amine
PubChem CID62760482
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name3,5-dimethyl-1-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazol-4-amine
SMILESCc1nn(C(C)C)c(C)c1NCc1cncnc1
InChIInChI=1S/C13H19N5/c1-9(2)18-11(4)13(10(3)17-18)16-7-12-5-14-8-15-6-12/h5-6,8-9,16H,7H2,1-4H3
InChIKeyMMLYIXFHAWPMMR-UHFFFAOYSA-N
XLogP2.48
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-fluorophenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 54866495
N-[(1-tert-butylpyrazol-4-yl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 60933441
N-[(4-bromo-3-methylphenyl)methyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 66472413
4-[[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]benzoic acid
CID 65347629
2-[[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]benzonitrile
CID 103851532
N-(1-benzofuran-3-ylmethyl)-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 80700989
5-[[(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)amino]methyl]thiophene-3-carbonitrile
CID 79553159
3,5-dimethyl-N-(3-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-amine
CID 60932577
2-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propane-1,2-diamine
CID 103389327
1,3,5-trimethyl-N-[(3-propan-2-ylimidazol-4-yl)methyl]pyrazol-4-amine
CID 66130679
N-[1-(4-ethylphenyl)ethyl]-3,5-dimethyl-1-propan-2-ylpyrazol-4-amine
CID 60933440
3,5-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]-1-propan-2-ylpyrazol-4-amine
CID 62659074

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazol-4-amine?
The IUPAC name of 3,5-dimethyl-1-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazol-4-amine (CID 62760482) is 3,5-dimethyl-1-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazol-4-amine.
What is the SMILES notation for 3,5-dimethyl-1-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazol-4-amine?
The canonical SMILES for 3,5-dimethyl-1-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazol-4-amine is Cc1nn(C(C)C)c(C)c1NCc1cncnc1.
What is the InChIKey of 3,5-dimethyl-1-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazol-4-amine?
The InChIKey is MMLYIXFHAWPMMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-9(2)18-11(4)13(10(3)17-18)16-7-12-5-14-8-15-6-12/h5-6,8-9,16H,7H2,1-4H3.
What are the key properties of 3,5-dimethyl-1-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazol-4-amine?
3,5-dimethyl-1-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazol-4-amine has a molecular weight of 245.33 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-propan-2-yl-N-(pyrimidin-5-ylmethyl)pyrazol-4-amine is sourced from PubChem (CID 62760482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).