2-chloro-N-[5-(difluoromethyl)-1H-pyrazol-3-yl]pyrimidin-4-amine

C8H6ClF2N5 — CID 86694761

IUPAC2-chloro-N-[5-(difluoromethyl)-1H-pyrazol-3-yl]pyrimidin-4-amine
SMILESFC(F)c1cc(Nc2ccnc(Cl)n2)n[nH]1
InChIInChI=1S/C8H6ClF2N5/c9-8-12-2-1-5(14-8)13-6-3-4(7(10)11)15-16-6/h1-3,7H,(H2,12,13,14,15,16)
InChIKeyPUMNUKPGTQOLDP-UHFFFAOYSA-N
MW245.62 g/mol
LogP2.53
Rot. Bonds3

About 2-chloro-N-[5-(difluoromethyl)-1H-pyrazol-3-yl]pyrimidin-4-amine

2-chloro-N-[5-(difluoromethyl)-1H-pyrazol-3-yl]pyrimidin-4-amine (PubChem CID 86694761) has the molecular formula C8H6ClF2N5 and a molecular weight of 245.62 g/mol. Its IUPAC name is 2-chloro-N-[5-(difluoromethyl)-1H-pyrazol-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[5-(difluoromethyl)-1H-pyrazol-3-yl]pyrimidin-4-amine
PubChem CID86694761
Molecular FormulaC8H6ClF2N5
Molecular Weight245.62 g/mol
Exact Mass245.03
IUPAC Name2-chloro-N-[5-(difluoromethyl)-1H-pyrazol-3-yl]pyrimidin-4-amine
SMILESFC(F)c1cc(Nc2ccnc(Cl)n2)n[nH]1
InChIInChI=1S/C8H6ClF2N5/c9-8-12-2-1-5(14-8)13-6-3-4(7(10)11)15-16-6/h1-3,7H,(H2,12,13,14,15,16)
InChIKeyPUMNUKPGTQOLDP-UHFFFAOYSA-N
XLogP2.53
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.62
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[5-(difluoromethyl)-1H-pyrazol-3-yl]pyrimidin-4-amine?
The IUPAC name of 2-chloro-N-[5-(difluoromethyl)-1H-pyrazol-3-yl]pyrimidin-4-amine (CID 86694761) is 2-chloro-N-[5-(difluoromethyl)-1H-pyrazol-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-N-[5-(difluoromethyl)-1H-pyrazol-3-yl]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-N-[5-(difluoromethyl)-1H-pyrazol-3-yl]pyrimidin-4-amine is FC(F)c1cc(Nc2ccnc(Cl)n2)n[nH]1.
What is the InChIKey of 2-chloro-N-[5-(difluoromethyl)-1H-pyrazol-3-yl]pyrimidin-4-amine?
The InChIKey is PUMNUKPGTQOLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF2N5/c9-8-12-2-1-5(14-8)13-6-3-4(7(10)11)15-16-6/h1-3,7H,(H2,12,13,14,15,16).
What are the key properties of 2-chloro-N-[5-(difluoromethyl)-1H-pyrazol-3-yl]pyrimidin-4-amine?
2-chloro-N-[5-(difluoromethyl)-1H-pyrazol-3-yl]pyrimidin-4-amine has a molecular weight of 245.62 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[5-(difluoromethyl)-1H-pyrazol-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 86694761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).