1-[(2R,4S)-2-(difluoromethyl)piperidin-4-yl]-5-methylpyrazol-4-amine

C10H16F2N4 — CID 118288782

IUPAC1-[(2R,4S)-2-(difluoromethyl)piperidin-4-yl]-5-methylpyrazol-4-amine
SMILESCc1c(N)cnn1[C@H]1CCN[C@@H](C(F)F)C1
InChIInChI=1S/C10H16F2N4/c1-6-8(13)5-15-16(6)7-2-3-14-9(4-7)10(11)12/h5,7,9-10,14H,2-4,13H2,1H3/t7-,9+/m0/s1
InChIKeyQTMKRELWUKRBLH-IONNQARKSA-N
MW230.26 g/mol
LogP1.33
Rot. Bonds2

About 1-[(2R,4S)-2-(difluoromethyl)piperidin-4-yl]-5-methylpyrazol-4-amine

1-[(2R,4S)-2-(difluoromethyl)piperidin-4-yl]-5-methylpyrazol-4-amine (PubChem CID 118288782) has the molecular formula C10H16F2N4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-[(2R,4S)-2-(difluoromethyl)piperidin-4-yl]-5-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-[(2R,4S)-2-(difluoromethyl)piperidin-4-yl]-5-methylpyrazol-4-amine
PubChem CID118288782
Molecular FormulaC10H16F2N4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name1-[(2R,4S)-2-(difluoromethyl)piperidin-4-yl]-5-methylpyrazol-4-amine
SMILESCc1c(N)cnn1[C@H]1CCN[C@@H](C(F)F)C1
InChIInChI=1S/C10H16F2N4/c1-6-8(13)5-15-16(6)7-2-3-14-9(4-7)10(11)12/h5,7,9-10,14H,2-4,13H2,1H3/t7-,9+/m0/s1
InChIKeyQTMKRELWUKRBLH-IONNQARKSA-N
XLogP1.33
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4S)-2-(difluoromethyl)piperidin-4-yl]-5-methylpyrazol-4-amine?
The IUPAC name of 1-[(2R,4S)-2-(difluoromethyl)piperidin-4-yl]-5-methylpyrazol-4-amine (CID 118288782) is 1-[(2R,4S)-2-(difluoromethyl)piperidin-4-yl]-5-methylpyrazol-4-amine.
What is the SMILES notation for 1-[(2R,4S)-2-(difluoromethyl)piperidin-4-yl]-5-methylpyrazol-4-amine?
The canonical SMILES for 1-[(2R,4S)-2-(difluoromethyl)piperidin-4-yl]-5-methylpyrazol-4-amine is Cc1c(N)cnn1[C@H]1CCN[C@@H](C(F)F)C1.
What is the InChIKey of 1-[(2R,4S)-2-(difluoromethyl)piperidin-4-yl]-5-methylpyrazol-4-amine?
The InChIKey is QTMKRELWUKRBLH-IONNQARKSA-N. The full InChI is InChI=1S/C10H16F2N4/c1-6-8(13)5-15-16(6)7-2-3-14-9(4-7)10(11)12/h5,7,9-10,14H,2-4,13H2,1H3/t7-,9+/m0/s1.
What are the key properties of 1-[(2R,4S)-2-(difluoromethyl)piperidin-4-yl]-5-methylpyrazol-4-amine?
1-[(2R,4S)-2-(difluoromethyl)piperidin-4-yl]-5-methylpyrazol-4-amine has a molecular weight of 230.26 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,4S)-2-(difluoromethyl)piperidin-4-yl]-5-methylpyrazol-4-amine is sourced from PubChem (CID 118288782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).