3-tert-butyl-1-[4-[(dimethylamino)methyl]phenyl]pyrazol-5-amine

C16H24N4 — CID 67021582

IUPAC3-tert-butyl-1-[4-[(dimethylamino)methyl]phenyl]pyrazol-5-amine
SMILESCN(C)Cc1ccc(-n2nc(C(C)(C)C)cc2N)cc1
InChIInChI=1S/C16H24N4/c1-16(2,3)14-10-15(17)20(18-14)13-8-6-12(7-9-13)11-19(4)5/h6-10H,11,17H2,1-5H3
InChIKeyYZKDTVLSOQWQTE-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.81
Rot. Bonds3

About 3-tert-butyl-1-[4-[(dimethylamino)methyl]phenyl]pyrazol-5-amine

3-tert-butyl-1-[4-[(dimethylamino)methyl]phenyl]pyrazol-5-amine (PubChem CID 67021582) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 3-tert-butyl-1-[4-[(dimethylamino)methyl]phenyl]pyrazol-5-amine.

Molecular Properties

Compound Name3-tert-butyl-1-[4-[(dimethylamino)methyl]phenyl]pyrazol-5-amine
PubChem CID67021582
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name3-tert-butyl-1-[4-[(dimethylamino)methyl]phenyl]pyrazol-5-amine
SMILESCN(C)Cc1ccc(-n2nc(C(C)(C)C)cc2N)cc1
InChIInChI=1S/C16H24N4/c1-16(2,3)14-10-15(17)20(18-14)13-8-6-12(7-9-13)11-19(4)5/h6-10H,11,17H2,1-5H3
InChIKeyYZKDTVLSOQWQTE-UHFFFAOYSA-N
XLogP2.81
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-[4-[(dimethylamino)methyl]phenyl]pyrazol-5-amine?
The IUPAC name of 3-tert-butyl-1-[4-[(dimethylamino)methyl]phenyl]pyrazol-5-amine (CID 67021582) is 3-tert-butyl-1-[4-[(dimethylamino)methyl]phenyl]pyrazol-5-amine.
What is the SMILES notation for 3-tert-butyl-1-[4-[(dimethylamino)methyl]phenyl]pyrazol-5-amine?
The canonical SMILES for 3-tert-butyl-1-[4-[(dimethylamino)methyl]phenyl]pyrazol-5-amine is CN(C)Cc1ccc(-n2nc(C(C)(C)C)cc2N)cc1.
What is the InChIKey of 3-tert-butyl-1-[4-[(dimethylamino)methyl]phenyl]pyrazol-5-amine?
The InChIKey is YZKDTVLSOQWQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-16(2,3)14-10-15(17)20(18-14)13-8-6-12(7-9-13)11-19(4)5/h6-10H,11,17H2,1-5H3.
What are the key properties of 3-tert-butyl-1-[4-[(dimethylamino)methyl]phenyl]pyrazol-5-amine?
3-tert-butyl-1-[4-[(dimethylamino)methyl]phenyl]pyrazol-5-amine has a molecular weight of 272.40 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-[4-[(dimethylamino)methyl]phenyl]pyrazol-5-amine is sourced from PubChem (CID 67021582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).