N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide

C15H16F3N5O2 — CID 146113855

IUPACN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2cccn2)C[C@H]1O)c1cc(C(F)(F)F)ncn1
InChIInChI=1S/C15H16F3N5O2/c16-15(17,18)13-6-11(19-8-20-13)14(25)22-10-4-9(5-12(10)24)7-23-3-1-2-21-23/h1-3,6,8-10,12,24H,4-5,7H2,(H,22,25)/t9?,10-,12-/m1/s1
InChIKeyUIHIDSFPBUDZEI-GTFYECCDSA-N
MW355.32 g/mol
LogP1.26
Rot. Bonds4

About N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide

N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide (PubChem CID 146113855) has the molecular formula C15H16F3N5O2 and a molecular weight of 355.32 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide
PubChem CID146113855
Molecular FormulaC15H16F3N5O2
Molecular Weight355.32 g/mol
Exact Mass355.13
IUPAC NameN-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide
SMILESO=C(N[C@@H]1CC(Cn2cccn2)C[C@H]1O)c1cc(C(F)(F)F)ncn1
InChIInChI=1S/C15H16F3N5O2/c16-15(17,18)13-6-11(19-8-20-13)14(25)22-10-4-9(5-12(10)24)7-23-3-1-2-21-23/h1-3,6,8-10,12,24H,4-5,7H2,(H,22,25)/t9?,10-,12-/m1/s1
InChIKeyUIHIDSFPBUDZEI-GTFYECCDSA-N
XLogP1.26
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide (CID 146113855) is N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide is O=C(N[C@@H]1CC(Cn2cccn2)C[C@H]1O)c1cc(C(F)(F)F)ncn1.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide?
The InChIKey is UIHIDSFPBUDZEI-GTFYECCDSA-N. The full InChI is InChI=1S/C15H16F3N5O2/c16-15(17,18)13-6-11(19-8-20-13)14(25)22-10-4-9(5-12(10)24)7-23-3-1-2-21-23/h1-3,6,8-10,12,24H,4-5,7H2,(H,22,25)/t9?,10-,12-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide?
N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide has a molecular weight of 355.32 g/mol, XLogP of 1.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-4-(pyrazol-1-ylmethyl)cyclopentyl]-6-(trifluoromethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 146113855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).