1-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]-5-methylpyrazol-4-amine

C10H16F2N4 — CID 118288764

IUPAC1-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]-5-methylpyrazol-4-amine
SMILESCc1c(N)cnn1[C@@H]1CCN(CC(F)F)C1
InChIInChI=1S/C10H16F2N4/c1-7-9(13)4-14-16(7)8-2-3-15(5-8)6-10(11)12/h4,8,10H,2-3,5-6,13H2,1H3/t8-/m1/s1
InChIKeyKHQFMDKPFVMTCL-MRVPVSSYSA-N
MW230.26 g/mol
LogP1.29
Rot. Bonds3

About 1-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]-5-methylpyrazol-4-amine

1-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]-5-methylpyrazol-4-amine (PubChem CID 118288764) has the molecular formula C10H16F2N4 and a molecular weight of 230.26 g/mol. Its IUPAC name is 1-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]-5-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]-5-methylpyrazol-4-amine
PubChem CID118288764
Molecular FormulaC10H16F2N4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name1-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]-5-methylpyrazol-4-amine
SMILESCc1c(N)cnn1[C@@H]1CCN(CC(F)F)C1
InChIInChI=1S/C10H16F2N4/c1-7-9(13)4-14-16(7)8-2-3-15(5-8)6-10(11)12/h4,8,10H,2-3,5-6,13H2,1H3/t8-/m1/s1
InChIKeyKHQFMDKPFVMTCL-MRVPVSSYSA-N
XLogP1.29
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]-5-methylpyrazol-4-amine?
The IUPAC name of 1-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]-5-methylpyrazol-4-amine (CID 118288764) is 1-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]-5-methylpyrazol-4-amine.
What is the SMILES notation for 1-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]-5-methylpyrazol-4-amine?
The canonical SMILES for 1-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]-5-methylpyrazol-4-amine is Cc1c(N)cnn1[C@@H]1CCN(CC(F)F)C1.
What is the InChIKey of 1-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]-5-methylpyrazol-4-amine?
The InChIKey is KHQFMDKPFVMTCL-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16F2N4/c1-7-9(13)4-14-16(7)8-2-3-15(5-8)6-10(11)12/h4,8,10H,2-3,5-6,13H2,1H3/t8-/m1/s1.
What are the key properties of 1-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]-5-methylpyrazol-4-amine?
1-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]-5-methylpyrazol-4-amine has a molecular weight of 230.26 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(2,2-difluoroethyl)pyrrolidin-3-yl]-5-methylpyrazol-4-amine is sourced from PubChem (CID 118288764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).