5-methyl-1-[(3S)-1-methylpiperidin-3-yl]pyrazol-4-amine

C10H18N4 — CID 90104184

IUPAC5-methyl-1-[(3S)-1-methylpiperidin-3-yl]pyrazol-4-amine
SMILESCc1c(N)cnn1[C@H]1CCCN(C)C1
InChIInChI=1S/C10H18N4/c1-8-10(11)6-12-14(8)9-4-3-5-13(2)7-9/h6,9H,3-5,7,11H2,1-2H3/t9-/m0/s1
InChIKeyUCRLLIIFYVWQBG-VIFPVBQESA-N
MW194.28 g/mol
LogP1.04
Rot. Bonds1

About 5-methyl-1-[(3S)-1-methylpiperidin-3-yl]pyrazol-4-amine

5-methyl-1-[(3S)-1-methylpiperidin-3-yl]pyrazol-4-amine (PubChem CID 90104184) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-methyl-1-[(3S)-1-methylpiperidin-3-yl]pyrazol-4-amine.

Molecular Properties

Compound Name5-methyl-1-[(3S)-1-methylpiperidin-3-yl]pyrazol-4-amine
PubChem CID90104184
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name5-methyl-1-[(3S)-1-methylpiperidin-3-yl]pyrazol-4-amine
SMILESCc1c(N)cnn1[C@H]1CCCN(C)C1
InChIInChI=1S/C10H18N4/c1-8-10(11)6-12-14(8)9-4-3-5-13(2)7-9/h6,9H,3-5,7,11H2,1-2H3/t9-/m0/s1
InChIKeyUCRLLIIFYVWQBG-VIFPVBQESA-N
XLogP1.04
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-[(3S)-1-methylpiperidin-3-yl]pyrazol-4-amine?
The IUPAC name of 5-methyl-1-[(3S)-1-methylpiperidin-3-yl]pyrazol-4-amine (CID 90104184) is 5-methyl-1-[(3S)-1-methylpiperidin-3-yl]pyrazol-4-amine.
What is the SMILES notation for 5-methyl-1-[(3S)-1-methylpiperidin-3-yl]pyrazol-4-amine?
The canonical SMILES for 5-methyl-1-[(3S)-1-methylpiperidin-3-yl]pyrazol-4-amine is Cc1c(N)cnn1[C@H]1CCCN(C)C1.
What is the InChIKey of 5-methyl-1-[(3S)-1-methylpiperidin-3-yl]pyrazol-4-amine?
The InChIKey is UCRLLIIFYVWQBG-VIFPVBQESA-N. The full InChI is InChI=1S/C10H18N4/c1-8-10(11)6-12-14(8)9-4-3-5-13(2)7-9/h6,9H,3-5,7,11H2,1-2H3/t9-/m0/s1.
What are the key properties of 5-methyl-1-[(3S)-1-methylpiperidin-3-yl]pyrazol-4-amine?
5-methyl-1-[(3S)-1-methylpiperidin-3-yl]pyrazol-4-amine has a molecular weight of 194.28 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-[(3S)-1-methylpiperidin-3-yl]pyrazol-4-amine is sourced from PubChem (CID 90104184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).