1-tert-butyl-4-[(4-methylpiperidin-1-yl)methyl]pyrazol-5-amine

C14H26N4 — CID 82171647

IUPAC1-tert-butyl-4-[(4-methylpiperidin-1-yl)methyl]pyrazol-5-amine
SMILESCC1CCN(Cc2cnn(C(C)(C)C)c2N)CC1
InChIInChI=1S/C14H26N4/c1-11-5-7-17(8-6-11)10-12-9-16-18(13(12)15)14(2,3)4/h9,11H,5-8,10,15H2,1-4H3
InChIKeyQDYXKDGIQQKQPO-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.45
Rot. Bonds2

About 1-tert-butyl-4-[(4-methylpiperidin-1-yl)methyl]pyrazol-5-amine

1-tert-butyl-4-[(4-methylpiperidin-1-yl)methyl]pyrazol-5-amine (PubChem CID 82171647) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 1-tert-butyl-4-[(4-methylpiperidin-1-yl)methyl]pyrazol-5-amine.

Molecular Properties

Compound Name1-tert-butyl-4-[(4-methylpiperidin-1-yl)methyl]pyrazol-5-amine
PubChem CID82171647
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name1-tert-butyl-4-[(4-methylpiperidin-1-yl)methyl]pyrazol-5-amine
SMILESCC1CCN(Cc2cnn(C(C)(C)C)c2N)CC1
InChIInChI=1S/C14H26N4/c1-11-5-7-17(8-6-11)10-12-9-16-18(13(12)15)14(2,3)4/h9,11H,5-8,10,15H2,1-4H3
InChIKeyQDYXKDGIQQKQPO-UHFFFAOYSA-N
XLogP2.45
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[(4-methylpiperidin-1-yl)methyl]pyrazol-5-amine?
The IUPAC name of 1-tert-butyl-4-[(4-methylpiperidin-1-yl)methyl]pyrazol-5-amine (CID 82171647) is 1-tert-butyl-4-[(4-methylpiperidin-1-yl)methyl]pyrazol-5-amine.
What is the SMILES notation for 1-tert-butyl-4-[(4-methylpiperidin-1-yl)methyl]pyrazol-5-amine?
The canonical SMILES for 1-tert-butyl-4-[(4-methylpiperidin-1-yl)methyl]pyrazol-5-amine is CC1CCN(Cc2cnn(C(C)(C)C)c2N)CC1.
What is the InChIKey of 1-tert-butyl-4-[(4-methylpiperidin-1-yl)methyl]pyrazol-5-amine?
The InChIKey is QDYXKDGIQQKQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-11-5-7-17(8-6-11)10-12-9-16-18(13(12)15)14(2,3)4/h9,11H,5-8,10,15H2,1-4H3.
What are the key properties of 1-tert-butyl-4-[(4-methylpiperidin-1-yl)methyl]pyrazol-5-amine?
1-tert-butyl-4-[(4-methylpiperidin-1-yl)methyl]pyrazol-5-amine has a molecular weight of 250.39 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[(4-methylpiperidin-1-yl)methyl]pyrazol-5-amine is sourced from PubChem (CID 82171647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).