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

C10H16F2N4 — CID 118288913

IUPAC1-[(2R,4R)-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-/m1/s1
InChIKeyQTMKRELWUKRBLH-VXNVDRBHSA-N
MW230.26 g/mol
LogP1.33
Rot. Bonds2

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

1-[(2R,4R)-2-(difluoromethyl)piperidin-4-yl]-5-methylpyrazol-4-amine (PubChem CID 118288913) has the molecular formula C10H16F2N4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-[(2R,4R)-2-(difluoromethyl)piperidin-4-yl]-5-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-[(2R,4R)-2-(difluoromethyl)piperidin-4-yl]-5-methylpyrazol-4-amine
PubChem CID118288913
Molecular FormulaC10H16F2N4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name1-[(2R,4R)-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-/m1/s1
InChIKeyQTMKRELWUKRBLH-VXNVDRBHSA-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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Related Compounds

3-[3-(trifluoromethyl)-1H-pyrazol-1-yl]pentan-1-amine
CID 19616726
3-Methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-amine
CID 19619547
1-butyl-5-methyl-1H-pyrazol-4-amine
CID 19620093
5-methyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-amine
CID 69281513
3-methyl-1-(1-methylpiperidin-4-yl)-1H-pyrazol-4-amine
CID 69281646
1-(2-fluoroethyl)-5-methyl-1H-pyrazol-4-amine
CID 69281649
5-(difluoromethyl)-1-methyl-1H-pyrazol-4-amine hydrochloride
CID 71757376
1-methyl-5-(trifluoromethyl)-1H-pyrazol-4-amine hydrochloride
CID 75481704
1-(difluoromethyl)-3-methyl-1H-pyrazol-4-amine hydrochloride
CID 90482916
1-(2,2-difluoroethyl)-5-methyl-1H-pyrazol-4-amine
CID 137698864
1-Isopropyl-3-methyl-1H-pyrazol-4-amine
CID 19620081
1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-amine
CID 19620734

Frequently Asked Questions

What is the IUPAC name of 1-[(2R,4R)-2-(difluoromethyl)piperidin-4-yl]-5-methylpyrazol-4-amine?
The IUPAC name of 1-[(2R,4R)-2-(difluoromethyl)piperidin-4-yl]-5-methylpyrazol-4-amine (CID 118288913) is 1-[(2R,4R)-2-(difluoromethyl)piperidin-4-yl]-5-methylpyrazol-4-amine.
What is the SMILES notation for 1-[(2R,4R)-2-(difluoromethyl)piperidin-4-yl]-5-methylpyrazol-4-amine?
The canonical SMILES for 1-[(2R,4R)-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,4R)-2-(difluoromethyl)piperidin-4-yl]-5-methylpyrazol-4-amine?
The InChIKey is QTMKRELWUKRBLH-VXNVDRBHSA-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-/m1/s1.
What are the key properties of 1-[(2R,4R)-2-(difluoromethyl)piperidin-4-yl]-5-methylpyrazol-4-amine?
1-[(2R,4R)-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,4R)-2-(difluoromethyl)piperidin-4-yl]-5-methylpyrazol-4-amine is sourced from PubChem (CID 118288913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).